3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol

C16H19N3O — CID 91775340

IUPAC3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1ccccc1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C16H19N3O/c1-19(10-12-5-3-2-4-6-12)16-9-15(17-11-18-16)13-7-14(20)8-13/h2-6,9,11,13-14,20H,7-8,10H2,1H3
InChIKeyNAYPFRQSXTZSDE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.35
Rot. Bonds4

About 3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91775340) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91775340
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1ccccc1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C16H19N3O/c1-19(10-12-5-3-2-4-6-12)16-9-15(17-11-18-16)13-7-14(20)8-13/h2-6,9,11,13-14,20H,7-8,10H2,1H3
InChIKeyNAYPFRQSXTZSDE-UHFFFAOYSA-N
XLogP2.35
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91774761
3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91785441
3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91783030
3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91782924
6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154903423
3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91778387
6-(3-aminocyclobutyl)-N-methyl-N-(quinolin-3-ylmethyl)pyrimidin-4-amine
CID 91791964
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112859466
N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide
CID 91792104
6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903096
(1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
CID 97113424

Frequently Asked Questions

What is the IUPAC name of 3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91775340) is 3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is CN(Cc1ccccc1)c1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is NAYPFRQSXTZSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(10-12-5-3-2-4-6-12)16-9-15(17-11-18-16)13-7-14(20)8-13/h2-6,9,11,13-14,20H,7-8,10H2,1H3.
What are the key properties of 3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 269.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91775340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).