(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide

C15H27N7O3 — CID 53322886

IUPAC(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide
SMILESCN(C(=O)C[C@@H](N)CC1CCNCC1)C1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C15H27N7O3/c1-22(11-8-19-15(20-13(11)24)21-14(17)25)12(23)7-10(16)6-9-2-4-18-5-3-9/h9-11,18H,2-8,16H2,1H3,(H4,17,19,20,21,24,25)/t10-,11?/m0/s1
InChIKeyYLRIODDGIUAUBS-VUWPPUDQSA-N
MW353.43 g/mol
LogP-1.93
Rot. Bonds5

About (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide

(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide (PubChem CID 53322886) has the molecular formula C15H27N7O3 and a molecular weight of 353.43 g/mol. Its IUPAC name is (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide
PubChem CID53322886
Molecular FormulaC15H27N7O3
Molecular Weight353.43 g/mol
Exact Mass353.22
IUPAC Name(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide
SMILESCN(C(=O)C[C@@H](N)CC1CCNCC1)C1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C15H27N7O3/c1-22(11-8-19-15(20-13(11)24)21-14(17)25)12(23)7-10(16)6-9-2-4-18-5-3-9/h9-11,18H,2-8,16H2,1H3,(H4,17,19,20,21,24,25)/t10-,11?/m0/s1
InChIKeyYLRIODDGIUAUBS-VUWPPUDQSA-N
XLogP-1.93
TPSA154.94 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 5-1.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide?
The IUPAC name of (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide (CID 53322886) is (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide.
What is the SMILES notation for (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide?
The canonical SMILES for (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide is CN(C(=O)C[C@@H](N)CC1CCNCC1)C1CN=C(NC(N)=O)NC1=O.
What is the InChIKey of (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide?
The InChIKey is YLRIODDGIUAUBS-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H27N7O3/c1-22(11-8-19-15(20-13(11)24)21-14(17)25)12(23)7-10(16)6-9-2-4-18-5-3-9/h9-11,18H,2-8,16H2,1H3,(H4,17,19,20,21,24,25)/t10-,11?/m0/s1.
What are the key properties of (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide?
(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide has a molecular weight of 353.43 g/mol, XLogP of -1.93, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide is sourced from PubChem (CID 53322886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).