4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine

C18H22N8 — CID 122178558

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cn1
InChIInChI=1S/C18H22N8/c1-26(2)17-6-3-12(10-20-17)11-21-18-19-8-7-15(23-18)22-16-9-14(24-25-16)13-4-5-13/h3,6-10,13H,4-5,11H2,1-2H3,(H3,19,21,22,23,24,25)
InChIKeyKZHYWBKXNIOPSG-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.89
Rot. Bonds7

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine (PubChem CID 122178558) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
PubChem CID122178558
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cn1
InChIInChI=1S/C18H22N8/c1-26(2)17-6-3-12(10-20-17)11-21-18-19-8-7-15(23-18)22-16-9-14(24-25-16)13-4-5-13/h3,6-10,13H,4-5,11H2,1-2H3,(H3,19,21,22,23,24,25)
InChIKeyKZHYWBKXNIOPSG-UHFFFAOYSA-N
XLogP2.89
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine (CID 122178558) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine is CN(C)c1ccc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cn1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is KZHYWBKXNIOPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-26(2)17-6-3-12(10-20-17)11-21-18-19-8-7-15(23-18)22-16-9-14(24-25-16)13-4-5-13/h3,6-10,13H,4-5,11H2,1-2H3,(H3,19,21,22,23,24,25).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 350.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 122178558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).