N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine

C12H20N4O — CID 66333911

IUPACN-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine
SMILESCOc1cc(N(C)CC2CC(N)C2)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-8-14-11(6-12(15-8)17-3)16(2)7-9-4-10(13)5-9/h6,9-10H,4-5,7,13H2,1-3H3
InChIKeyRJWHFAYMCKJKLJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.97
Rot. Bonds4

About N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine

N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine (PubChem CID 66333911) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine
PubChem CID66333911
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine
SMILESCOc1cc(N(C)CC2CC(N)C2)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-8-14-11(6-12(15-8)17-3)16(2)7-9-4-10(13)5-9/h6,9-10H,4-5,7,13H2,1-3H3
InChIKeyRJWHFAYMCKJKLJ-UHFFFAOYSA-N
XLogP0.97
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine (CID 66333911) is N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine is COc1cc(N(C)CC2CC(N)C2)nc(C)n1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine?
The InChIKey is RJWHFAYMCKJKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-14-11(6-12(15-8)17-3)16(2)7-9-4-10(13)5-9/h6,9-10H,4-5,7,13H2,1-3H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine?
N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66333911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).