6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine

C14H17N7 — CID 72939719

IUPAC6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(NCc2cnn3cccnc23)c1C
InChIInChI=1S/C14H17N7/c1-3-11-9(2)12(20-14(15)19-11)17-7-10-8-18-21-6-4-5-16-13(10)21/h4-6,8H,3,7H2,1-2H3,(H3,15,17,19,20)
InChIKeyPIOUJMQMGQRYKD-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.58
Rot. Bonds4

About 6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine

6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 72939719) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID72939719
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(NCc2cnn3cccnc23)c1C
InChIInChI=1S/C14H17N7/c1-3-11-9(2)12(20-14(15)19-11)17-7-10-8-18-21-6-4-5-16-13(10)21/h4-6,8H,3,7H2,1-2H3,(H3,15,17,19,20)
InChIKeyPIOUJMQMGQRYKD-UHFFFAOYSA-N
XLogP1.58
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Istisociclib
CID 146502834
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
1-(1-Methylethyl)-3-(Pyridin-3-Ylethynyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 44475988
(R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159000
(R)-3-(6-(1-(4-fluorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44160207
1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866512
Pyrazolo[1,5-a]-1,3,5-triazine, 13-8
CID 42618214
Pyrazolo[1,5-a]-1,3,5-triazine, 13-10
CID 42618216
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
2,3,6-Trimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201421

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine (CID 72939719) is 6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine is CCc1nc(N)nc(NCc2cnn3cccnc23)c1C.
What is the InChIKey of 6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is PIOUJMQMGQRYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-3-11-9(2)12(20-14(15)19-11)17-7-10-8-18-21-6-4-5-16-13(10)21/h4-6,8H,3,7H2,1-2H3,(H3,15,17,19,20).
What are the key properties of 6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine?
6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 283.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-4-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 72939719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).