N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide

C24H27N5O2 — CID 11452801

IUPACN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide
SMILESNc1nc(N)c(-c2ccc(NC(=O)C3CCCC3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C24H27N5O2/c25-22-21(17-10-12-19(13-11-17)27-23(30)18-8-4-5-9-18)20(28-24(26)29-22)15-31-14-16-6-2-1-3-7-16/h1-3,6-7,10-13,18H,4-5,8-9,14-15H2,(H,27,30)(H4,25,26,28,29)
InChIKeyULACJMAZFIEDES-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.15
Rot. Bonds7

About N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide

N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide (PubChem CID 11452801) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide
PubChem CID11452801
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide
SMILESNc1nc(N)c(-c2ccc(NC(=O)C3CCCC3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C24H27N5O2/c25-22-21(17-10-12-19(13-11-17)27-23(30)18-8-4-5-9-18)20(28-24(26)29-22)15-31-14-16-6-2-1-3-7-16/h1-3,6-7,10-13,18H,4-5,8-9,14-15H2,(H,27,30)(H4,25,26,28,29)
InChIKeyULACJMAZFIEDES-UHFFFAOYSA-N
XLogP4.15
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 11340044
CID 11340044
CID 11349789
CID 11349789
CID 11441554
CID 11441554
CID 11154001
CID 11154001
CID 11154823
CID 11154823
CID 11176805
CID 11176805
CID 11178309
CID 11178309
CID 11211892
CID 11211892
CID 11248021
CID 11248021
CID 11281346
CID 11281346
CID 11314908
CID 11314908
CID 11340329
CID 11340329

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide (CID 11452801) is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide is Nc1nc(N)c(-c2ccc(NC(=O)C3CCCC3)cc2)c(COCc2ccccc2)n1.
What is the InChIKey of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide?
The InChIKey is ULACJMAZFIEDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c25-22-21(17-10-12-19(13-11-17)27-23(30)18-8-4-5-9-18)20(28-24(26)29-22)15-31-14-16-6-2-1-3-7-16/h1-3,6-7,10-13,18H,4-5,8-9,14-15H2,(H,27,30)(H4,25,26,28,29).
What are the key properties of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide?
N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 11452801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).