(3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

C19H21ClN4O — CID 25459202

IUPAC(3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESClc1ccc2c(c1)C=C(CN[C@@H]1CCCN(c3ncccn3)C1)CO2
InChIInChI=1S/C19H21ClN4O/c20-16-4-5-18-15(10-16)9-14(13-25-18)11-23-17-3-1-8-24(12-17)19-21-6-2-7-22-19/h2,4-7,9-10,17,23H,1,3,8,11-13H2/t17-/m1/s1
InChIKeyYJDQWBNWSMRVQP-QGZVFWFLSA-N
MW356.86 g/mol
LogP3.16
Rot. Bonds4

About (3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

(3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 25459202) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is (3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID25459202
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name(3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESClc1ccc2c(c1)C=C(CN[C@@H]1CCCN(c3ncccn3)C1)CO2
InChIInChI=1S/C19H21ClN4O/c20-16-4-5-18-15(10-16)9-14(13-25-18)11-23-17-3-1-8-24(12-17)19-21-6-2-7-22-19/h2,4-7,9-10,17,23H,1,3,8,11-13H2/t17-/m1/s1
InChIKeyYJDQWBNWSMRVQP-QGZVFWFLSA-N
XLogP3.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine with MolForge

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Related Compounds

2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol
CID 111421748
(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901
N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 45169153
(3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 95575885
6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 71893150
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
(3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42508304
(3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42381958
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
(3S)-N-[(4-ethoxy-3-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 124888646

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 25459202) is (3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is Clc1ccc2c(c1)C=C(CN[C@@H]1CCCN(c3ncccn3)C1)CO2.
What is the InChIKey of (3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is YJDQWBNWSMRVQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-16-4-5-18-15(10-16)9-14(13-25-18)11-23-17-3-1-8-24(12-17)19-21-6-2-7-22-19/h2,4-7,9-10,17,23H,1,3,8,11-13H2/t17-/m1/s1.
What are the key properties of (3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
(3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 356.86 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 25459202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).