1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

C19H29N5O2 — CID 72910944

IUPAC1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCc1nccc(N[C@H]2CN(C(=O)CCN3CCCC3=O)C[C@@H]2C(C)C)n1
InChIInChI=1S/C19H29N5O2/c1-13(2)15-11-24(19(26)7-10-23-9-4-5-18(23)25)12-16(15)22-17-6-8-20-14(3)21-17/h6,8,13,15-16H,4-5,7,9-12H2,1-3H3,(H,20,21,22)/t15-,16+/m1/s1
InChIKeyJCEGKIOUOSJJNO-CVEARBPZSA-N
MW359.47 g/mol
LogP1.69
Rot. Bonds6

About 1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 72910944) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID72910944
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCc1nccc(N[C@H]2CN(C(=O)CCN3CCCC3=O)C[C@@H]2C(C)C)n1
InChIInChI=1S/C19H29N5O2/c1-13(2)15-11-24(19(26)7-10-23-9-4-5-18(23)25)12-16(15)22-17-6-8-20-14(3)21-17/h6,8,13,15-16H,4-5,7,9-12H2,1-3H3,(H,20,21,22)/t15-,16+/m1/s1
InChIKeyJCEGKIOUOSJJNO-CVEARBPZSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one with MolForge

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Related Compounds

cis-((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)(pyrrolidin-1-yl)methanone
CID 44565889
1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51081162
1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51081163
1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51081168
1-N-cyclopropyl-4-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-1,4-dicarboxamide
CID 53501342
1-butanoyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501867
N-[2-(pyrimidin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502240
1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 56764916
1-(Cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 56885799
N-{rel-(3R,4S)-4-isopropyl-1-[3-(methylthio)propanoyl]-3-pyrrolidinyl}-2-methyl-4-pyrimidinamine hydrochloride
CID 72844975
4-({rel-(3S,4R)-3-isopropyl-4-[(2-methyl-4-pyrimidinyl)amino]-1-pyrrolidinyl}carbonyl)tetrahydro-2H-pyran-4-carbonitrile hydrochloride
CID 72845862
N~1~-[(3R*,4S*)-4-cyclopropyl-1-(2-methyl-4-pyrimidinyl)-3-pyrrolidinyl]-N~2~-(methylsulfonyl)glycinamide
CID 72846165

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (CID 72910944) is 1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is Cc1nccc(N[C@H]2CN(C(=O)CCN3CCCC3=O)C[C@@H]2C(C)C)n1.
What is the InChIKey of 1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is JCEGKIOUOSJJNO-CVEARBPZSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13(2)15-11-24(19(26)7-10-23-9-4-5-18(23)25)12-16(15)22-17-6-8-20-14(3)21-17/h6,8,13,15-16H,4-5,7,9-12H2,1-3H3,(H,20,21,22)/t15-,16+/m1/s1.
What are the key properties of 1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R,4S)-3-[(2-methylpyrimidin-4-yl)amino]-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 72910944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).