4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine

C17H16N6 — CID 67983576

IUPAC4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3cncnc3CC3CC3)n2)ccn1
InChIInChI=1S/C17H16N6/c1-2-12(1)9-16-14(10-19-11-21-16)15-5-8-20-17(23-15)22-13-3-6-18-7-4-13/h3-8,10-12H,1-2,9H2,(H,18,20,22,23)
InChIKeyFEJRPGWNIJMFPI-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.02
Rot. Bonds5

About 4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine

4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine (PubChem CID 67983576) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
PubChem CID67983576
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3cncnc3CC3CC3)n2)ccn1
InChIInChI=1S/C17H16N6/c1-2-12(1)9-16-14(10-19-11-21-16)15-5-8-20-17(23-15)22-13-3-6-18-7-4-13/h3-8,10-12H,1-2,9H2,(H,18,20,22,23)
InChIKeyFEJRPGWNIJMFPI-UHFFFAOYSA-N
XLogP3.02
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine (CID 67983576) is 4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine is c1cc(Nc2nccc(-c3cncnc3CC3CC3)n2)ccn1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is FEJRPGWNIJMFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-2-12(1)9-16-14(10-19-11-21-16)15-5-8-20-17(23-15)22-13-3-6-18-7-4-13/h3-8,10-12H,1-2,9H2,(H,18,20,22,23).
What are the key properties of 4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 304.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)pyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 67983576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).