6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine

C14H20N6O — CID 91795368

IUPAC6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CN(C)c2cc(C3CC(N)C3)nc(N)n2)no1
InChIInChI=1S/C14H20N6O/c1-8-3-11(19-21-8)7-20(2)13-6-12(17-14(16)18-13)9-4-10(15)5-9/h3,6,9-10H,4-5,7,15H2,1-2H3,(H2,16,17,18)
InChIKeyBSLFEKNNPZPFRV-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.20
Rot. Bonds4

About 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 91795368) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID91795368
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CN(C)c2cc(C3CC(N)C3)nc(N)n2)no1
InChIInChI=1S/C14H20N6O/c1-8-3-11(19-21-8)7-20(2)13-6-12(17-14(16)18-13)9-4-10(15)5-9/h3,6,9-10H,4-5,7,15H2,1-2H3,(H2,16,17,18)
InChIKeyBSLFEKNNPZPFRV-UHFFFAOYSA-N
XLogP1.20
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidine-2,4-diamine
CID 91769437
6-(3-aminocyclobutyl)-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91767141
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 91760423
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154901529
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902159
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902804
6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91789045
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine
CID 91778439
6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902244
6-(3-aminocyclobutyl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902047
6-(3-aminocyclobutyl)-4-N-[(5-chloro-2-ethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902027
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 91767683

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 91795368) is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(CN(C)c2cc(C3CC(N)C3)nc(N)n2)no1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is BSLFEKNNPZPFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-8-3-11(19-21-8)7-20(2)13-6-12(17-14(16)18-13)9-4-10(15)5-9/h3,6,9-10H,4-5,7,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 288.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91795368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).