1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone

C16H26N4O — CID 97101804

IUPAC1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Nc2cc(C(C)C)nc(C(C)C)n2)C1
InChIInChI=1S/C16H26N4O/c1-10(2)14-8-15(19-16(18-14)11(3)4)17-13-6-7-20(9-13)12(5)21/h8,10-11,13H,6-7,9H2,1-5H3,(H,17,18,19)/t13-/m1/s1
InChIKeyQFWVUOFIBQYKCZ-CYBMUJFWSA-N
MW290.41 g/mol
LogP2.76
Rot. Bonds4

About 1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone

1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone (PubChem CID 97101804) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
PubChem CID97101804
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Nc2cc(C(C)C)nc(C(C)C)n2)C1
InChIInChI=1S/C16H26N4O/c1-10(2)14-8-15(19-16(18-14)11(3)4)17-13-6-7-20(9-13)12(5)21/h8,10-11,13H,6-7,9H2,1-5H3,(H,17,18,19)/t13-/m1/s1
InChIKeyQFWVUOFIBQYKCZ-CYBMUJFWSA-N
XLogP2.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 90245510
1-[3-[[2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrimidin-4-yl]amino]azetidin-1-yl]ethanone
CID 90248752
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
CID 118929980
methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate
CID 133420318
[4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone
CID 86285676
1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 75390795
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 170364307
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 90245628
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone (CID 97101804) is 1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](Nc2cc(C(C)C)nc(C(C)C)n2)C1.
What is the InChIKey of 1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone?
The InChIKey is QFWVUOFIBQYKCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O/c1-10(2)14-8-15(19-16(18-14)11(3)4)17-13-6-7-20(9-13)12(5)21/h8,10-11,13H,6-7,9H2,1-5H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone?
1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 97101804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).