(3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine

C20H21ClN4O — CID 95575885

IUPAC(3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESClc1ccc(-c2ccc(CN[C@H]3CCCN(c4ncccn4)C3)o2)cc1
InChIInChI=1S/C20H21ClN4O/c21-16-6-4-15(5-7-16)19-9-8-18(26-19)13-24-17-3-1-12-25(14-17)20-22-10-2-11-23-20/h2,4-11,17,24H,1,3,12-14H2/t17-/m0/s1
InChIKeyWBWBUDVKDGNGGP-KRWDZBQOSA-N
MW368.87 g/mol
LogP4.15
Rot. Bonds5

About (3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine

(3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 95575885) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is (3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID95575885
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name(3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESClc1ccc(-c2ccc(CN[C@H]3CCCN(c4ncccn4)C3)o2)cc1
InChIInChI=1S/C20H21ClN4O/c21-16-6-4-15(5-7-16)19-9-8-18(26-19)13-24-17-3-1-12-25(14-17)20-22-10-2-11-23-20/h2,4-11,17,24H,1,3,12-14H2/t17-/m0/s1
InChIKeyWBWBUDVKDGNGGP-KRWDZBQOSA-N
XLogP4.15
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine with MolForge

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Related Compounds

(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901
(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 124813528
(3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 25459202
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045756
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
CID 17332202
N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675593
N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779441
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45190278
(3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42381958

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 95575885) is (3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine is Clc1ccc(-c2ccc(CN[C@H]3CCCN(c4ncccn4)C3)o2)cc1.
What is the InChIKey of (3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is WBWBUDVKDGNGGP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21ClN4O/c21-16-6-4-15(5-7-16)19-9-8-18(26-19)13-24-17-3-1-12-25(14-17)20-22-10-2-11-23-20/h2,4-11,17,24H,1,3,12-14H2/t17-/m0/s1.
What are the key properties of (3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
(3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 368.87 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 95575885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).