4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine

C18H23N7 — CID 45175617

IUPAC4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine
SMILESCCCn1cc(-c2ccnc(NC(C)Cc3cnccn3)n2)c(C)n1
InChIInChI=1S/C18H23N7/c1-4-9-25-12-16(14(3)24-25)17-5-6-21-18(23-17)22-13(2)10-15-11-19-7-8-20-15/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,22,23)
InChIKeyMOTVHILZUYFEJZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.89
Rot. Bonds7

About 4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine

4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine (PubChem CID 45175617) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine
PubChem CID45175617
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine
SMILESCCCn1cc(-c2ccnc(NC(C)Cc3cnccn3)n2)c(C)n1
InChIInChI=1S/C18H23N7/c1-4-9-25-12-16(14(3)24-25)17-5-6-21-18(23-17)22-13(2)10-15-11-19-7-8-20-15/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,22,23)
InChIKeyMOTVHILZUYFEJZ-UHFFFAOYSA-N
XLogP2.89
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 46997243
4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine
CID 28767202
4,6-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyrimidin-2-amine
CID 95129567
N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine
CID 46999445
4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine
CID 46988686
4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine
CID 46990527
1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97270342
(2S)-1-[[4-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 143753883
6-(3-methyl-1-propylpyrazol-4-yl)pyridin-2-amine
CID 66020419
4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine
CID 95509779
1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95891564
1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70726083

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine (CID 45175617) is 4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine is CCCn1cc(-c2ccnc(NC(C)Cc3cnccn3)n2)c(C)n1.
What is the InChIKey of 4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is MOTVHILZUYFEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-4-9-25-12-16(14(3)24-25)17-5-6-21-18(23-17)22-13(2)10-15-11-19-7-8-20-15/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,22,23).
What are the key properties of 4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine?
4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 337.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 45175617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).