N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C17H21N5O2 — CID 112857317

IUPACN-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(NCC3CCCO3)ncn2)c1
InChIInChI=1S/C17H21N5O2/c1-12(23)21-13-4-2-5-14(8-13)22-17-9-16(19-11-20-17)18-10-15-6-3-7-24-15/h2,4-5,8-9,11,15H,3,6-7,10H2,1H3,(H,21,23)(H2,18,19,20,22)
InChIKeyWLMRVBDWHRSAAR-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.77
Rot. Bonds6

About N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112857317) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112857317
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(NCC3CCCO3)ncn2)c1
InChIInChI=1S/C17H21N5O2/c1-12(23)21-13-4-2-5-14(8-13)22-17-9-16(19-11-20-17)18-10-15-6-3-7-24-15/h2,4-5,8-9,11,15H,3,6-7,10H2,1H3,(H,21,23)(H2,18,19,20,22)
InChIKeyWLMRVBDWHRSAAR-UHFFFAOYSA-N
XLogP2.77
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857362
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
4-N-(4-ethylphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857276
N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343844
4-N-(4-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857303
methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
CID 82835955
4-N-(2-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857301
N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112854630
N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 82834678
N-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343802
4-N-(oxolan-2-ylmethyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857212

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112857317) is N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cc(NCC3CCCO3)ncn2)c1.
What is the InChIKey of N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is WLMRVBDWHRSAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12(23)21-13-4-2-5-14(8-13)22-17-9-16(19-11-20-17)18-10-15-6-3-7-24-15/h2,4-5,8-9,11,15H,3,6-7,10H2,1H3,(H,21,23)(H2,18,19,20,22).
What are the key properties of N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112857317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).