N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H29N5O2 — CID 56882354

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC3(CCNCC3)CN2C)c(=O)n1
InChIInChI=1S/C18H29N5O2/c1-13-10-14(2)23(17(25)21-13)9-8-20-16(24)15-11-18(12-22(15)3)4-6-19-7-5-18/h10,15,19H,4-9,11-12H2,1-3H3,(H,20,24)
InChIKeyRRBCVOMCRMRMBJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.05
Rot. Bonds4

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56882354) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56882354
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC3(CCNCC3)CN2C)c(=O)n1
InChIInChI=1S/C18H29N5O2/c1-13-10-14(2)23(17(25)21-13)9-8-20-16(24)15-11-18(12-22(15)3)4-6-19-7-5-18/h10,15,19H,4-9,11-12H2,1-3H3,(H,20,24)
InChIKeyRRBCVOMCRMRMBJ-UHFFFAOYSA-N
XLogP0.05
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56882354) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2CC3(CCNCC3)CN2C)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is RRBCVOMCRMRMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13-10-14(2)23(17(25)21-13)9-8-20-16(24)15-11-18(12-22(15)3)4-6-19-7-5-18/h10,15,19H,4-9,11-12H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56882354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).