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

C24H23N7 — CID 127034047

IUPACN-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
SMILESc1ccc(CNc2ncc(-c3ccnc(Nc4ccncc4)n3)c(CC3CC3)n2)cc1
InChIInChI=1S/C24H23N7/c1-2-4-18(5-3-1)15-27-23-28-16-20(22(31-23)14-17-6-7-17)21-10-13-26-24(30-21)29-19-8-11-25-12-9-19/h1-5,8-13,16-17H,6-7,14-15H2,(H,27,28,31)(H,25,26,29,30)
InChIKeyGRIWQNBAGCYUAH-UHFFFAOYSA-N
MW409.50 g/mol
LogP4.64
Rot. Bonds8

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

N-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 127034047) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is N-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID127034047
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC NameN-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
SMILESc1ccc(CNc2ncc(-c3ccnc(Nc4ccncc4)n3)c(CC3CC3)n2)cc1
InChIInChI=1S/C24H23N7/c1-2-4-18(5-3-1)15-27-23-28-16-20(22(31-23)14-17-6-7-17)21-10-13-26-24(30-21)29-19-8-11-25-12-9-19/h1-5,8-13,16-17H,6-7,14-15H2,(H,27,28,31)(H,25,26,29,30)
InChIKeyGRIWQNBAGCYUAH-UHFFFAOYSA-N
XLogP4.64
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine (CID 127034047) is N-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine is c1ccc(CNc2ncc(-c3ccnc(Nc4ccncc4)n3)c(CC3CC3)n2)cc1.
What is the InChIKey of N-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is GRIWQNBAGCYUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-2-4-18(5-3-1)15-27-23-28-16-20(22(31-23)14-17-6-7-17)21-10-13-26-24(30-21)29-19-8-11-25-12-9-19/h1-5,8-13,16-17H,6-7,14-15H2,(H,27,28,31)(H,25,26,29,30).
What are the key properties of N-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
N-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 409.50 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 127034047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).