4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

C17H17ClN4O2 — CID 112889389

IUPAC4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(NCc2ccco2)n1
InChIInChI=1S/C17H17ClN4O2/c1-11-8-14(15(23-2)9-13(11)18)21-16-5-6-19-17(22-16)20-10-12-4-3-7-24-12/h3-9H,10H2,1-2H3,(H2,19,20,21,22)
InChIKeyKSBILLQYEGPLLE-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.40
Rot. Bonds6

About 4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112889389) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112889389
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(NCc2ccco2)n1
InChIInChI=1S/C17H17ClN4O2/c1-11-8-14(15(23-2)9-13(11)18)21-16-5-6-19-17(22-16)20-10-12-4-3-7-24-12/h3-9H,10H2,1-2H3,(H2,19,20,21,22)
InChIKeyKSBILLQYEGPLLE-UHFFFAOYSA-N
XLogP4.40
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-chloro-2,5-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889388
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886964
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905095
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112906745
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903458
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883322
4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112889206
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 112903799
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187810
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919708
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690762

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (CID 112889389) is 4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is COc1cc(Cl)c(C)cc1Nc1ccnc(NCc2ccco2)n1.
What is the InChIKey of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is KSBILLQYEGPLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-11-8-14(15(23-2)9-13(11)18)21-16-5-6-19-17(22-16)20-10-12-4-3-7-24-12/h3-9H,10H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 344.80 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112889389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).