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

C18H19N7 — CID 57404840

IUPAC4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
SMILESCNc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
InChIInChI=1S/C18H19N7/c1-19-17-22-11-14(16(25-17)10-12-2-3-12)15-6-9-21-18(24-15)23-13-4-7-20-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,22,25)(H,20,21,23,24)
InChIKeyAZNDMXQBVCPJIC-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.07
Rot. Bonds6

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

4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 57404840) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID57404840
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
SMILESCNc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
InChIInChI=1S/C18H19N7/c1-19-17-22-11-14(16(25-17)10-12-2-3-12)15-6-9-21-18(24-15)23-13-4-7-20-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,22,25)(H,20,21,23,24)
InChIKeyAZNDMXQBVCPJIC-UHFFFAOYSA-N
XLogP3.07
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine (CID 57404840) is 4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine is CNc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is AZNDMXQBVCPJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-19-17-22-11-14(16(25-17)10-12-2-3-12)15-6-9-21-18(24-15)23-13-4-7-20-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,22,25)(H,20,21,23,24).
What are the key properties of 4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 333.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-methyl-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 57404840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).