3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide

C8H13N5O — CID 80787004

IUPAC3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCNc1nccc(NCCC(N)=O)n1
InChIInChI=1S/C8H13N5O/c1-10-8-12-5-3-7(13-8)11-4-2-6(9)14/h3,5H,2,4H2,1H3,(H2,9,14)(H2,10,11,12,13)
InChIKeySECSRGQCKUKAAY-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.19
Rot. Bonds5

About 3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide

3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80787004) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80787004
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCNc1nccc(NCCC(N)=O)n1
InChIInChI=1S/C8H13N5O/c1-10-8-12-5-3-7(13-8)11-4-2-6(9)14/h3,5H,2,4H2,1H3,(H2,9,14)(H2,10,11,12,13)
InChIKeySECSRGQCKUKAAY-UHFFFAOYSA-N
XLogP-0.19
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide 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-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80787264
2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
CID 80790250
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787750
2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523201
N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80813999
5-[[6-(methylamino)-2-pyridinyl]amino]pentanamide
CID 106241556
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502
3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106149831
N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80849792
2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 114174041
[2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80856693

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide (CID 80787004) is 3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide is CNc1nccc(NCCC(N)=O)n1.
What is the InChIKey of 3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is SECSRGQCKUKAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-10-8-12-5-3-7(13-8)11-4-2-6(9)14/h3,5H,2,4H2,1H3,(H2,9,14)(H2,10,11,12,13).
What are the key properties of 3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide?
3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 195.23 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80787004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).