N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine

C10H13N5 — CID 44591705

IUPACN-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cn[nH]c2)n1
InChIInChI=1S/C10H13N5/c1-7(2)14-10-11-4-3-9(15-10)8-5-12-13-6-8/h3-7H,1-2H3,(H,12,13)(H,11,14,15)
InChIKeyKWYLRPHAYNZDPL-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.69
Rot. Bonds3

About N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine

N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 44591705) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID44591705
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cn[nH]c2)n1
InChIInChI=1S/C10H13N5/c1-7(2)14-10-11-4-3-9(15-10)8-5-12-13-6-8/h3-7H,1-2H3,(H,12,13)(H,11,14,15)
InChIKeyKWYLRPHAYNZDPL-UHFFFAOYSA-N
XLogP1.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine (CID 44591705) is N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine is CC(C)Nc1nccc(-c2cn[nH]c2)n1.
What is the InChIKey of N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is KWYLRPHAYNZDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-7(2)14-10-11-4-3-9(15-10)8-5-12-13-6-8/h3-7H,1-2H3,(H,12,13)(H,11,14,15).
What are the key properties of N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine?
N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 203.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 44591705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).