4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C18H18ClN5O2 — CID 112861015

IUPAC4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(NCc3ccncc3)ncn2)c(OC)cc1Cl
InChIInChI=1S/C18H18ClN5O2/c1-25-15-8-14(16(26-2)7-13(15)19)24-18-9-17(22-11-23-18)21-10-12-3-5-20-6-4-12/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyWUEQJFPNOHFFHV-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.90
Rot. Bonds7

About 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112861015) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112861015
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(NCc3ccncc3)ncn2)c(OC)cc1Cl
InChIInChI=1S/C18H18ClN5O2/c1-25-15-8-14(16(26-2)7-13(15)19)24-18-9-17(22-11-23-18)21-10-12-3-5-20-6-4-12/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyWUEQJFPNOHFFHV-UHFFFAOYSA-N
XLogP3.90
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-benzyl-4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858867
4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860950
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112860011
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112860016
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854664
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865727
2-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916463
4-N-benzyl-2-N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915613
4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860320
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863554
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112867157

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 112861015) is 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is COc1cc(Nc2cc(NCc3ccncc3)ncn2)c(OC)cc1Cl.
What is the InChIKey of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is WUEQJFPNOHFFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-25-15-8-14(16(26-2)7-13(15)19)24-18-9-17(22-11-23-18)21-10-12-3-5-20-6-4-12/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 371.83 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112861015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).