N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine

C18H23ClN4O — CID 95207906

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1CN(C)c1cc([C@@H]2CCCNC2)ncn1
InChIInChI=1S/C18H23ClN4O/c1-23(11-14-8-15(19)5-6-17(14)24-2)18-9-16(21-12-22-18)13-4-3-7-20-10-13/h5-6,8-9,12-13,20H,3-4,7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyPRPVFWHMAFMVMQ-CYBMUJFWSA-N
MW346.86 g/mol
LogP3.24
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 95207906) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID95207906
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1CN(C)c1cc([C@@H]2CCCNC2)ncn1
InChIInChI=1S/C18H23ClN4O/c1-23(11-14-8-15(19)5-6-17(14)24-2)18-9-16(21-12-22-18)13-4-3-7-20-10-13/h5-6,8-9,12-13,20H,3-4,7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyPRPVFWHMAFMVMQ-CYBMUJFWSA-N
XLogP3.24
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95197067
N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95219621
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56703021
1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
CID 65145742
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
CID 82620503
2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine
CID 95825460
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95726095
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469
2-chloro-4-methoxy-3-piperidin-3-ylpyridine
CID 84690868

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine (CID 95207906) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine is COc1ccc(Cl)cc1CN(C)c1cc([C@@H]2CCCNC2)ncn1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is PRPVFWHMAFMVMQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-23(11-14-8-15(19)5-6-17(14)24-2)18-9-16(21-12-22-18)13-4-3-7-20-10-13/h5-6,8-9,12-13,20H,3-4,7,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 346.86 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 95207906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).