N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide

C12H20N4OS — CID 106972989

IUPACN-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
SMILESCSc1cc(NC(C)C(=O)NCC(C)C)ncn1
InChIInChI=1S/C12H20N4OS/c1-8(2)6-13-12(17)9(3)16-10-5-11(18-4)15-7-14-10/h5,7-9H,6H2,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyKXIGYVGZODWZSI-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.77
Rot. Bonds6

About N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide

N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide (PubChem CID 106972989) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
PubChem CID106972989
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
SMILESCSc1cc(NC(C)C(=O)NCC(C)C)ncn1
InChIInChI=1S/C12H20N4OS/c1-8(2)6-13-12(17)9(3)16-10-5-11(18-4)15-7-14-10/h5,7-9H,6H2,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyKXIGYVGZODWZSI-UHFFFAOYSA-N
XLogP1.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 106972987
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 106972535
5,5-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]hexanoic acid
CID 106972354
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106973796
N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644485
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207
3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol
CID 106973053
N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972875
2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 113424250
1-N,1-N,3-trimethyl-2-N-(6-methylsulfanylpyrimidin-4-yl)butane-1,2-diamine
CID 106972725

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide (CID 106972989) is N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide is CSc1cc(NC(C)C(=O)NCC(C)C)ncn1.
What is the InChIKey of N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide?
The InChIKey is KXIGYVGZODWZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8(2)6-13-12(17)9(3)16-10-5-11(18-4)15-7-14-10/h5,7-9H,6H2,1-4H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide?
N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide has a molecular weight of 268.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 106972989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).