N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine

C16H17N5 — CID 74247329

IUPACN-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCC(C)Nc1cc(-c2ccc(-c3ccn[nH]3)cc2)ncn1
InChIInChI=1S/C16H17N5/c1-11(2)20-16-9-15(17-10-18-16)13-5-3-12(4-6-13)14-7-8-19-21-14/h3-11H,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyRGWXBWYJXBRAGJ-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.35
Rot. Bonds4

About N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine

N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 74247329) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID74247329
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCC(C)Nc1cc(-c2ccc(-c3ccn[nH]3)cc2)ncn1
InChIInChI=1S/C16H17N5/c1-11(2)20-16-9-15(17-10-18-16)13-5-3-12(4-6-13)14-7-8-19-21-14/h3-11H,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyRGWXBWYJXBRAGJ-UHFFFAOYSA-N
XLogP3.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.35
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-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine (CID 74247329) is N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine is CC(C)Nc1cc(-c2ccc(-c3ccn[nH]3)cc2)ncn1.
What is the InChIKey of N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is RGWXBWYJXBRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11(2)20-16-9-15(17-10-18-16)13-5-3-12(4-6-13)14-7-8-19-21-14/h3-11H,1-2H3,(H,19,21)(H,17,18,20).
What are the key properties of N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine?
N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 74247329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).