N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide

C14H22N4OS — CID 71705357

IUPACN-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)NC1CC1
InChIInChI=1S/C14H22N4OS/c1-9-8-10(2)16-14(15-9)18-12(6-7-20-3)13(19)17-11-4-5-11/h8,11-12H,4-7H2,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyAMUNESYCCPZDPX-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.91
Rot. Bonds7

About N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide

N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide (PubChem CID 71705357) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide
PubChem CID71705357
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)NC1CC1
InChIInChI=1S/C14H22N4OS/c1-9-8-10(2)16-14(15-9)18-12(6-7-20-3)13(19)17-11-4-5-11/h8,11-12H,4-7H2,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyAMUNESYCCPZDPX-UHFFFAOYSA-N
XLogP1.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
The IUPAC name of N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide (CID 71705357) is N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
The canonical SMILES for N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide is CSCCC(Nc1nc(C)cc(C)n1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
The InChIKey is AMUNESYCCPZDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9-8-10(2)16-14(15-9)18-12(6-7-20-3)13(19)17-11-4-5-11/h8,11-12H,4-7H2,1-3H3,(H,17,19)(H,15,16,18).
What are the key properties of N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide has a molecular weight of 294.42 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 71705357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).