N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine

C17H22N4O — CID 133460026

IUPACN-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOC1(CNc2nc(-c3ccncc3)nc(C)c2C)CCC1
InChIInChI=1S/C17H22N4O/c1-12-13(2)20-16(14-5-9-18-10-6-14)21-15(12)19-11-17(22-3)7-4-8-17/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,19,20,21)
InChIKeyOURJFIYGBVQFSD-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.14
Rot. Bonds5

About N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine

N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133460026) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133460026
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOC1(CNc2nc(-c3ccncc3)nc(C)c2C)CCC1
InChIInChI=1S/C17H22N4O/c1-12-13(2)20-16(14-5-9-18-10-6-14)21-15(12)19-11-17(22-3)7-4-8-17/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,19,20,21)
InChIKeyOURJFIYGBVQFSD-UHFFFAOYSA-N
XLogP3.14
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133344239
5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 56768152
5,6-dimethyl-2-pyridin-4-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133415480
5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 133316495
N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
CID 103991879
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133399802
2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273786
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 56789843
3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine
CID 104925280
5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
CID 133449348
4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133349530
N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133459895

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine (CID 133460026) is N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine is COC1(CNc2nc(-c3ccncc3)nc(C)c2C)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is OURJFIYGBVQFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-13(2)20-16(14-5-9-18-10-6-14)21-15(12)19-11-17(22-3)7-4-8-17/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,19,20,21).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133460026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).