(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

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Related Compounds

N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119888442
(2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide
CID 119888444
N-(1-bromo-4,4-dimethylpentan-3-yl)pyrimidine-5-carboxamide
CID 106356037
3-hydrazinyl-N,N-dimethyl-3-pyrimidin-5-ylpropan-1-amine
CID 105259139
3-(2-aminophenyl)-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]propanamide;dihydrochloride
CID 120613234
1-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(3-hydroxypropyl)urea
CID 111422941
1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea
CID 71875681
N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538856
1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine
CID 115876449
N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylpropanamide
CID 62044781
N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide
CID 122154862
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]acetamide
CID 119888440

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).