4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide

C24H33N7O — CID 167188050

IUPAC4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide
SMILESCc1cnc(Nc2ccc(CNC(=O)CCCN(C)C)cc2)nc1-c1cnn(C(C)C)c1
InChIInChI=1S/C24H33N7O/c1-17(2)31-16-20(15-27-31)23-18(3)13-26-24(29-23)28-21-10-8-19(9-11-21)14-25-22(32)7-6-12-30(4)5/h8-11,13,15-17H,6-7,12,14H2,1-5H3,(H,25,32)(H,26,28,29)
InChIKeyFHSZCQGHWNEQTG-UHFFFAOYSA-N
MW435.58 g/mol
LogP3.93
Rot. Bonds10

About 4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide

4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide (PubChem CID 167188050) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide
PubChem CID167188050
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC Name4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide
SMILESCc1cnc(Nc2ccc(CNC(=O)CCCN(C)C)cc2)nc1-c1cnn(C(C)C)c1
InChIInChI=1S/C24H33N7O/c1-17(2)31-16-20(15-27-31)23-18(3)13-26-24(29-23)28-21-10-8-19(9-11-21)14-25-22(32)7-6-12-30(4)5/h8-11,13,15-17H,6-7,12,14H2,1-5H3,(H,25,32)(H,26,28,29)
InChIKeyFHSZCQGHWNEQTG-UHFFFAOYSA-N
XLogP3.93
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide with MolForge

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Related Compounds

N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]prop-2-enamide
CID 167188107
2-fluoro-4-N-[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine
CID 165158084
1-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 164621060
N-cyclopropyl-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167187670
(E)-5-(dimethylamino)-1-[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]anilino]pent-3-en-2-one
CID 167550405
N-(3-fluoro-4-nitrophenyl)-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 155747190
2-[[1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]-methylamino]ethanol
CID 139600335
3-chloro-N-[2-[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]ethyl]propanamide
CID 167600737
4-[[5-chloro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 156865474
2-[6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile
CID 172822014
1-[7-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]butan-1-ol
CID 175375478
1-cyclopropylsulfonyl-N-[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydroindol-5-amine
CID 164612108

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide?
The IUPAC name of 4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide (CID 167188050) is 4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide?
The canonical SMILES for 4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide is Cc1cnc(Nc2ccc(CNC(=O)CCCN(C)C)cc2)nc1-c1cnn(C(C)C)c1.
What is the InChIKey of 4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide?
The InChIKey is FHSZCQGHWNEQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-17(2)31-16-20(15-27-31)23-18(3)13-26-24(29-23)28-21-10-8-19(9-11-21)14-25-22(32)7-6-12-30(4)5/h8-11,13,15-17H,6-7,12,14H2,1-5H3,(H,25,32)(H,26,28,29).
What are the key properties of 4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide?
4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide has a molecular weight of 435.58 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methyl]butanamide is sourced from PubChem (CID 167188050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).