N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C19H26N6O2 — CID 97156687

IUPACN-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C19H26N6O2/c1-13(23-18(27)16-10-20-12-22-17(16)26)15-11-21-19(24-14(15)2)25-8-6-4-3-5-7-9-25/h10-13H,3-9H2,1-2H3,(H,23,27)(H,20,22,26)/t13-/m0/s1
InChIKeyLVIQYGMUCOSUIR-ZDUSSCGKSA-N
MW370.46 g/mol
LogP2.13
Rot. Bonds4

About N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97156687) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97156687
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C19H26N6O2/c1-13(23-18(27)16-10-20-12-22-17(16)26)15-11-21-19(24-14(15)2)25-8-6-4-3-5-7-9-25/h10-13H,3-9H2,1-2H3,(H,23,27)(H,20,22,26)/t13-/m0/s1
InChIKeyLVIQYGMUCOSUIR-ZDUSSCGKSA-N
XLogP2.13
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 97156687) is N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)c1cnc[nH]c1=O.
What is the InChIKey of N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LVIQYGMUCOSUIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13(23-18(27)16-10-20-12-22-17(16)26)15-11-21-19(24-14(15)2)25-8-6-4-3-5-7-9-25/h10-13H,3-9H2,1-2H3,(H,23,27)(H,20,22,26)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97156687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).