N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine

C15H18N8 — CID 150455915

IUPACN-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(-c3cnn(C4CCNC4)c3)n2)cn1
InChIInChI=1S/C15H18N8/c1-22-10-12(7-18-22)20-15-17-5-3-14(21-15)11-6-19-23(9-11)13-2-4-16-8-13/h3,5-7,9-10,13,16H,2,4,8H2,1H3,(H,17,20,21)
InChIKeyHOTZBQOJCHSOTB-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.35
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine

N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 150455915) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID150455915
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(-c3cnn(C4CCNC4)c3)n2)cn1
InChIInChI=1S/C15H18N8/c1-22-10-12(7-18-22)20-15-17-5-3-14(21-15)11-6-19-23(9-11)13-2-4-16-8-13/h3,5-7,9-10,13,16H,2,4,8H2,1H3,(H,17,20,21)
InChIKeyHOTZBQOJCHSOTB-UHFFFAOYSA-N
XLogP1.35
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine (CID 150455915) is N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine is Cn1cc(Nc2nccc(-c3cnn(C4CCNC4)c3)n2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is HOTZBQOJCHSOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-22-10-12(7-18-22)20-15-17-5-3-14(21-15)11-6-19-23(9-11)13-2-4-16-8-13/h3,5-7,9-10,13,16H,2,4,8H2,1H3,(H,17,20,21).
What are the key properties of N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine?
N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 310.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 150455915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).