1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one

C19H29FN6O2 — CID 67035137

IUPAC1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one
SMILESCC(C)(C)CNC1CCCN([C@@H]2CCCN(c3ncnc(N)c3F)C2=O)C1=O
InChIInChI=1S/C19H29FN6O2/c1-19(2,3)10-22-12-6-4-8-25(17(12)27)13-7-5-9-26(18(13)28)16-14(20)15(21)23-11-24-16/h11-13,22H,4-10H2,1-3H3,(H2,21,23,24)/t12?,13-/m1/s1
InChIKeyYLKBXFLNAOHLFG-ZGTCLIOFSA-N
MW392.48 g/mol
LogP1.32
Rot. Bonds4

About 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one

1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one (PubChem CID 67035137) has the molecular formula C19H29FN6O2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one
PubChem CID67035137
Molecular FormulaC19H29FN6O2
Molecular Weight392.48 g/mol
Exact Mass392.23
IUPAC Name1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one
SMILESCC(C)(C)CNC1CCCN([C@@H]2CCCN(c3ncnc(N)c3F)C2=O)C1=O
InChIInChI=1S/C19H29FN6O2/c1-19(2,3)10-22-12-6-4-8-25(17(12)27)13-7-5-9-26(18(13)28)16-14(20)15(21)23-11-24-16/h11-13,22H,4-10H2,1-3H3,(H2,21,23,24)/t12?,13-/m1/s1
InChIKeyYLKBXFLNAOHLFG-ZGTCLIOFSA-N
XLogP1.32
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,2-Dimethylpropylamino)-9-methyl-6-piperidin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 118740616
4-(Butan-2-ylamino)-9-methyl-6-piperidin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134790507
9-Methyl-6-piperidin-3-yl-4-(propan-2-ylamino)-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134790564
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-[(4,4-difluorocyclohexyl)amino]piperidin-2-one
CID 67034921
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one
CID 67035136
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one
CID 67972046
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(tert-butylamino)piperidin-2-one
CID 67972594
4-(4-Aminopiperidin-1-yl)-9-methyl-6-piperidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134787231
9-Methyl-4-(3-methylpiperidin-1-yl)-6-piperidin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134787932
9-Methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134788177
4-(2,2-Dimethylpropylamino)-9-methyl-6-piperidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134788863
9-Methyl-4-(pentylamino)-6-piperidin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134789426

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one?
The IUPAC name of 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one (CID 67035137) is 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one.
What is the SMILES notation for 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one?
The canonical SMILES for 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one is CC(C)(C)CNC1CCCN([C@@H]2CCCN(c3ncnc(N)c3F)C2=O)C1=O.
What is the InChIKey of 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one?
The InChIKey is YLKBXFLNAOHLFG-ZGTCLIOFSA-N. The full InChI is InChI=1S/C19H29FN6O2/c1-19(2,3)10-22-12-6-4-8-25(17(12)27)13-7-5-9-26(18(13)28)16-14(20)15(21)23-11-24-16/h11-13,22H,4-10H2,1-3H3,(H2,21,23,24)/t12?,13-/m1/s1.
What are the key properties of 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one?
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one has a molecular weight of 392.48 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one is sourced from PubChem (CID 67035137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).