2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine

C13H19N5 — CID 138024216

IUPAC2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCC(C)c1nccc(NCCCc2cn[nH]c2)n1
InChIInChI=1S/C13H19N5/c1-10(2)13-15-7-5-12(18-13)14-6-3-4-11-8-16-17-9-11/h5,7-10H,3-4,6H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyXXNNMFAISLKUDX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.37
Rot. Bonds6

About 2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine

2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine (PubChem CID 138024216) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
PubChem CID138024216
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCC(C)c1nccc(NCCCc2cn[nH]c2)n1
InChIInChI=1S/C13H19N5/c1-10(2)13-15-7-5-12(18-13)14-6-3-4-11-8-16-17-9-11/h5,7-10H,3-4,6H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyXXNNMFAISLKUDX-UHFFFAOYSA-N
XLogP2.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine (CID 138024216) is 2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine is CC(C)c1nccc(NCCCc2cn[nH]c2)n1.
What is the InChIKey of 2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
The InChIKey is XXNNMFAISLKUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(2)13-15-7-5-12(18-13)14-6-3-4-11-8-16-17-9-11/h5,7-10H,3-4,6H2,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 138024216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).