3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide

C13H22N6O — CID 91766904

IUPAC3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C13H22N6O/c1-16-12(20)3-4-19(2)11-7-10(17-13(15)18-11)8-5-9(14)6-8/h7-9H,3-6,14H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyNAYKFQGFRQBGSL-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.16
Rot. Bonds5

About 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide

3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide (PubChem CID 91766904) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
PubChem CID91766904
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C13H22N6O/c1-16-12(20)3-4-19(2)11-7-10(17-13(15)18-11)8-5-9(14)6-8/h7-9H,3-6,14H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyNAYKFQGFRQBGSL-UHFFFAOYSA-N
XLogP-0.16
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902244
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 91767683
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 91791117
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 91795368
6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine
CID 91787968
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
6-(3-aminocyclobutyl)-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91767141
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902159
3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918446
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902343
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine
CID 91778439
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902804

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide (CID 91766904) is 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1cc(C2CC(N)C2)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The InChIKey is NAYKFQGFRQBGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-16-12(20)3-4-19(2)11-7-10(17-13(15)18-11)8-5-9(14)6-8/h7-9H,3-6,14H2,1-2H3,(H,16,20)(H2,15,17,18).
What are the key properties of 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide has a molecular weight of 278.36 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 91766904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).