4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

C22H29N5O3 — CID 153387437

IUPAC4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.Cc1cnc(N)nc1OC1CC1
InChIInChI=1S/C14H18N2O2.C8H11N3O/c1-2-13(17)15-12-7-5-11(6-8-12)14(18)16-9-3-4-10-16;1-5-4-10-8(9)11-7(5)12-6-2-3-6/h5-8H,2-4,9-10H2,1H3,(H,15,17);4,6H,2-3H2,1H3,(H2,9,10,11)
InChIKeyMSBDTTAWYOLEIL-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.18
Rot. Bonds5

About 4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 153387437) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID153387437
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.Cc1cnc(N)nc1OC1CC1
InChIInChI=1S/C14H18N2O2.C8H11N3O/c1-2-13(17)15-12-7-5-11(6-8-12)14(18)16-9-3-4-10-16;1-5-4-10-8(9)11-7(5)12-6-2-3-6/h5-8H,2-4,9-10H2,1H3,(H,15,17);4,6H,2-3H2,1H3,(H2,9,10,11)
InChIKeyMSBDTTAWYOLEIL-UHFFFAOYSA-N
XLogP3.18
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973011
N-[4-(piperazine-1-carbonyl)phenyl]propanamide
CID 53215907
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119278060
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841570
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168019
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54814730
N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 157396801

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 153387437) is 4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.Cc1cnc(N)nc1OC1CC1.
What is the InChIKey of 4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is MSBDTTAWYOLEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.C8H11N3O/c1-2-13(17)15-12-7-5-11(6-8-12)14(18)16-9-3-4-10-16;1-5-4-10-8(9)11-7(5)12-6-2-3-6/h5-8H,2-4,9-10H2,1H3,(H,15,17);4,6H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 411.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-5-methylpyrimidin-2-amine;N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 153387437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).