N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C21H27N5O — CID 70786665

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(-c3ccccc3)cc(NCC3(N(C)C)CCOCC3)n2n1
InChIInChI=1S/C21H27N5O/c1-16-13-20-23-18(17-7-5-4-6-8-17)14-19(26(20)24-16)22-15-21(25(2)3)9-11-27-12-10-21/h4-8,13-14,22H,9-12,15H2,1-3H3
InChIKeyMEASDWGFKRSWGI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.23
Rot. Bonds5

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70786665) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70786665
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(-c3ccccc3)cc(NCC3(N(C)C)CCOCC3)n2n1
InChIInChI=1S/C21H27N5O/c1-16-13-20-23-18(17-7-5-4-6-8-17)14-19(26(20)24-16)22-15-21(25(2)3)9-11-27-12-10-21/h4-8,13-14,22H,9-12,15H2,1-3H3
InChIKeyMEASDWGFKRSWGI-UHFFFAOYSA-N
XLogP3.23
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
CID 70766799
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70732753
1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
CID 56884537
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70707398
2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092679
(4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95871433
(3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol
CID 70709400
2-methyl-5-phenyl-N-(1-pyridin-3-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56915913
ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
CID 143251437
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95874316
3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133312174

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70786665) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(-c3ccccc3)cc(NCC3(N(C)C)CCOCC3)n2n1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MEASDWGFKRSWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-13-20-23-18(17-7-5-4-6-8-17)14-19(26(20)24-16)22-15-21(25(2)3)9-11-27-12-10-21/h4-8,13-14,22H,9-12,15H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 365.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70786665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).