(3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide

C14H24N4O — CID 99932640

IUPAC(3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide
SMILESCNC(=O)C[C@H](C)N(C)Cc1ccnc(C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-10(2)14-16-7-6-12(17-14)9-18(5)11(3)8-13(19)15-4/h6-7,10-11H,8-9H2,1-5H3,(H,15,19)/t11-/m0/s1
InChIKeyNDXFNBRFTIUIFZ-NSHDSACASA-N
MW264.37 g/mol
LogP1.56
Rot. Bonds6

About (3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide

(3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide (PubChem CID 99932640) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide.

Molecular Properties

Compound Name(3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide
PubChem CID99932640
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide
SMILESCNC(=O)C[C@H](C)N(C)Cc1ccnc(C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-10(2)14-16-7-6-12(17-14)9-18(5)11(3)8-13(19)15-4/h6-7,10-11H,8-9H2,1-5H3,(H,15,19)/t11-/m0/s1
InChIKeyNDXFNBRFTIUIFZ-NSHDSACASA-N
XLogP1.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide?
The IUPAC name of (3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide (CID 99932640) is (3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide.
What is the SMILES notation for (3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide?
The canonical SMILES for (3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide is CNC(=O)C[C@H](C)N(C)Cc1ccnc(C(C)C)n1.
What is the InChIKey of (3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide?
The InChIKey is NDXFNBRFTIUIFZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)14-16-7-6-12(17-14)9-18(5)11(3)8-13(19)15-4/h6-7,10-11H,8-9H2,1-5H3,(H,15,19)/t11-/m0/s1.
What are the key properties of (3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide?
(3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]butanamide is sourced from PubChem (CID 99932640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).