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

C16H18N8 — CID 122178556

IUPAC2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESNc1ccc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cn1
InChIInChI=1S/C16H18N8/c17-13-4-1-10(8-19-13)9-20-16-18-6-5-14(22-16)21-15-7-12(23-24-15)11-2-3-11/h1,4-8,11H,2-3,9H2,(H2,17,19)(H3,18,20,21,22,23,24)
InChIKeyLBCUDZVMIGSKCJ-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.41
Rot. Bonds6

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

2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 122178556) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID122178556
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESNc1ccc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cn1
InChIInChI=1S/C16H18N8/c17-13-4-1-10(8-19-13)9-20-16-18-6-5-14(22-16)21-15-7-12(23-24-15)11-2-3-11/h1,4-8,11H,2-3,9H2,(H2,17,19)(H3,18,20,21,22,23,24)
InChIKeyLBCUDZVMIGSKCJ-UHFFFAOYSA-N
XLogP2.41
TPSA117.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 122178556) is 2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Nc1ccc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cn1.
What is the InChIKey of 2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is LBCUDZVMIGSKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8/c17-13-4-1-10(8-19-13)9-20-16-18-6-5-14(22-16)21-15-7-12(23-24-15)11-2-3-11/h1,4-8,11H,2-3,9H2,(H2,17,19)(H3,18,20,21,22,23,24).
What are the key properties of 2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 322.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 122178556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).