6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine

C14H17ClN4O2 — CID 133324609

IUPAC6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1OC(C)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C14H17ClN4O2/c1-9(21-11-6-4-3-5-10(11)20-2)8-17-13-7-12(15)18-14(16)19-13/h3-7,9H,8H2,1-2H3,(H3,16,17,18,19)
InChIKeyHWBGJFCHLJXNAP-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.60
Rot. Bonds6

About 6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine

6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine (PubChem CID 133324609) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine
PubChem CID133324609
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1OC(C)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C14H17ClN4O2/c1-9(21-11-6-4-3-5-10(11)20-2)8-17-13-7-12(15)18-14(16)19-13/h3-7,9H,8H2,1-2H3,(H3,16,17,18,19)
InChIKeyHWBGJFCHLJXNAP-UHFFFAOYSA-N
XLogP2.60
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706
5-bromo-N-[2-(2-methoxyphenoxy)propyl]pyridin-2-amine
CID 133324265
6-chloro-4-N-[2-(2-methylphenoxy)ethyl]pyrimidine-2,4-diamine
CID 47298970
6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine
CID 115591456
6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
CID 100566790
N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine
CID 133410527
6-N-ethyl-4-N-(2-methoxypropyl)pyrimidine-2,4,6-triamine
CID 102701909
(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 52569320
(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
CID 36790111
6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine
CID 133431138
N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 54852974

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine (CID 133324609) is 6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine is COc1ccccc1OC(C)CNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine?
The InChIKey is HWBGJFCHLJXNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9(21-11-6-4-3-5-10(11)20-2)8-17-13-7-12(15)18-14(16)19-13/h3-7,9H,8H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine has a molecular weight of 308.77 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 133324609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).