6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine

C11H12ClN5O — CID 113229570

IUPAC6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine
SMILESCOc1ncccc1CNc1ncnc(Cl)c1N
InChIInChI=1S/C11H12ClN5O/c1-18-11-7(3-2-4-14-11)5-15-10-8(13)9(12)16-6-17-10/h2-4,6H,5,13H2,1H3,(H,15,16,17)
InChIKeyXDTWQWKOZIKYLV-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.73
Rot. Bonds4

About 6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine

6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine (PubChem CID 113229570) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine
PubChem CID113229570
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine
SMILESCOc1ncccc1CNc1ncnc(Cl)c1N
InChIInChI=1S/C11H12ClN5O/c1-18-11-7(3-2-4-14-11)5-15-10-8(13)9(12)16-6-17-10/h2-4,6H,5,13H2,1H3,(H,15,16,17)
InChIKeyXDTWQWKOZIKYLV-UHFFFAOYSA-N
XLogP1.73
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Butylamino-8-hydroxy-9-(6-methoxy-3-pyridylmethyl)adenine
CID 11695850
4-(2-Methoxypyridin-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25131556
4-(2-(6-Methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 49784892
4-[2-[(6-Methoxy-3-pyridinyl)amino]-5-(piperazin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 49785828
4-(2-(6-Methoxypyridin-3-ylamino)-5-(piperidin-1-ylmethyl)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 59548177
4-(2-(6-Methoxypyridin-3-ylamino)-5-(pyrrolidin-1-ylmethyl)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 59548196
4-[2-[(6-Methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548226
4-[2-[(6-Methoxy-3-pyridinyl)amino]-5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548243
4-(3-(6-Methoxypyridin-3-ylamino)pyridin-4-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548250
4-(2-(6-Methoxypyridin-3-ylamino)phenyl)-6-methyl-1,3,5-triazin-2-amine
CID 59548263
4-(4-(6-Methoxypyridin-3-ylamino)pyrimidin-5-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548283
4-(5-((2-Methoxyethylamino)methyl)-2-(6-methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 59548284

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine (CID 113229570) is 6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine is COc1ncccc1CNc1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is XDTWQWKOZIKYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-18-11-7(3-2-4-14-11)5-15-10-8(13)9(12)16-6-17-10/h2-4,6H,5,13H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine has a molecular weight of 265.70 g/mol, XLogP of 1.73, 4 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-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 113229570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).