3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol

C19H20N4O — CID 91785441

IUPAC3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1cccc2ncccc12)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C19H20N4O/c1-23(11-13-4-2-6-17-16(13)5-3-7-20-17)19-10-18(21-12-22-19)14-8-15(24)9-14/h2-7,10,12,14-15,24H,8-9,11H2,1H3
InChIKeyIXNQAGBVLQWAMM-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.90
Rot. Bonds4

About 3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91785441) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91785441
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1cccc2ncccc12)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C19H20N4O/c1-23(11-13-4-2-6-17-16(13)5-3-7-20-17)19-10-18(21-12-22-19)14-8-15(24)9-14/h2-7,10,12,14-15,24H,8-9,11H2,1H3
InChIKeyIXNQAGBVLQWAMM-UHFFFAOYSA-N
XLogP2.90
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91775340
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine
CID 91778439
3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91774761
3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91783030
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902558
3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91782924
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
N-methyl-5-pyridin-2-yl-N-(quinolin-5-ylmethyl)pyrazolidine-3-carboxamide
CID 75261619
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902450
N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 92624402
N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide
CID 91792104

Frequently Asked Questions

What is the IUPAC name of 3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91785441) is 3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is CN(Cc1cccc2ncccc12)c1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is IXNQAGBVLQWAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-23(11-13-4-2-6-17-16(13)5-3-7-20-17)19-10-18(21-12-22-19)14-8-15(24)9-14/h2-7,10,12,14-15,24H,8-9,11H2,1H3.
What are the key properties of 3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 320.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91785441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).