N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide

C14H23N5OS — CID 80835468

IUPACN-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1cc(NCCC(=O)NC2CC2)nc(SC)n1
InChIInChI=1S/C14H23N5OS/c1-3-7-15-11-9-12(19-14(18-11)21-2)16-8-6-13(20)17-10-4-5-10/h9-10H,3-8H2,1-2H3,(H,17,20)(H2,15,16,18,19)
InChIKeySWEDXLMBTMVNPD-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.10
Rot. Bonds9

About N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide

N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80835468) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80835468
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC NameN-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1cc(NCCC(=O)NC2CC2)nc(SC)n1
InChIInChI=1S/C14H23N5OS/c1-3-7-15-11-9-12(19-14(18-11)21-2)16-8-6-13(20)17-10-4-5-10/h9-10H,3-8H2,1-2H3,(H,17,20)(H2,15,16,18,19)
InChIKeySWEDXLMBTMVNPD-UHFFFAOYSA-N
XLogP2.10
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80545671
N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80835175
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80784078
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826651
4-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80784747
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide
CID 79394556
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988
2-methylsulfanyl-4-N-(2-methylsulfinylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 113480695
1-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674572

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide (CID 80835468) is N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide is CCCNc1cc(NCCC(=O)NC2CC2)nc(SC)n1.
What is the InChIKey of N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is SWEDXLMBTMVNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-3-7-15-11-9-12(19-14(18-11)21-2)16-8-6-13(20)17-10-4-5-10/h9-10H,3-8H2,1-2H3,(H,17,20)(H2,15,16,18,19).
What are the key properties of N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 309.44 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80835468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).