(2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide

C16H28N4O — CID 124726543

IUPAC(2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide
SMILESC[C@@H](C(=O)N[C@@H](CCN(C)C)C(C)(C)C)c1cncnc1
InChIInChI=1S/C16H28N4O/c1-12(13-9-17-11-18-10-13)15(21)19-14(16(2,3)4)7-8-20(5)6/h9-12,14H,7-8H2,1-6H3,(H,19,21)/t12-,14+/m1/s1
InChIKeyCCMQRBIGNGVDNI-OCCSQVGLSA-N
MW292.43 g/mol
LogP2.06
Rot. Bonds6

About (2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide

(2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide (PubChem CID 124726543) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide
PubChem CID124726543
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide
SMILESC[C@@H](C(=O)N[C@@H](CCN(C)C)C(C)(C)C)c1cncnc1
InChIInChI=1S/C16H28N4O/c1-12(13-9-17-11-18-10-13)15(21)19-14(16(2,3)4)7-8-20(5)6/h9-12,14H,7-8H2,1-6H3,(H,19,21)/t12-,14+/m1/s1
InChIKeyCCMQRBIGNGVDNI-OCCSQVGLSA-N
XLogP2.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide?
The IUPAC name of (2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide (CID 124726543) is (2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide.
What is the SMILES notation for (2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide?
The canonical SMILES for (2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide is C[C@@H](C(=O)N[C@@H](CCN(C)C)C(C)(C)C)c1cncnc1.
What is the InChIKey of (2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide?
The InChIKey is CCMQRBIGNGVDNI-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(13-9-17-11-18-10-13)15(21)19-14(16(2,3)4)7-8-20(5)6/h9-12,14H,7-8H2,1-6H3,(H,19,21)/t12-,14+/m1/s1.
What are the key properties of (2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide?
(2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide has a molecular weight of 292.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide is sourced from PubChem (CID 124726543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).