N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide

C13H20N4O2 — CID 166304393

IUPACN-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide
SMILESCn1cncc(C(=O)NC2CC(CN)C2(C)C)c1=O
InChIInChI=1S/C13H20N4O2/c1-13(2)8(5-14)4-10(13)16-11(18)9-6-15-7-17(3)12(9)19/h6-8,10H,4-5,14H2,1-3H3,(H,16,18)
InChIKeySHNMEGYBDWYPNZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.12
Rot. Bonds3

About N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide

N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide (PubChem CID 166304393) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide
PubChem CID166304393
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide
SMILESCn1cncc(C(=O)NC2CC(CN)C2(C)C)c1=O
InChIInChI=1S/C13H20N4O2/c1-13(2)8(5-14)4-10(13)16-11(18)9-6-15-7-17(3)12(9)19/h6-8,10H,4-5,14H2,1-3H3,(H,16,18)
InChIKeySHNMEGYBDWYPNZ-UHFFFAOYSA-N
XLogP-0.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide (CID 166304393) is N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide is Cn1cncc(C(=O)NC2CC(CN)C2(C)C)c1=O.
What is the InChIKey of N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is SHNMEGYBDWYPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2)8(5-14)4-10(13)16-11(18)9-6-15-7-17(3)12(9)19/h6-8,10H,4-5,14H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide?
N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 264.33 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 166304393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).