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

C12H14ClN5O — CID 82459444

IUPAC6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
SMILESCOCc1nc(Cl)c(N)c(NCc2ccncc2)n1
InChIInChI=1S/C12H14ClN5O/c1-19-7-9-17-11(13)10(14)12(18-9)16-6-8-2-4-15-5-3-8/h2-5H,6-7,14H2,1H3,(H,16,17,18)
InChIKeyVQFNQHGFNZCHSK-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.87
Rot. Bonds5

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

6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 82459444) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
PubChem CID82459444
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
SMILESCOCc1nc(Cl)c(N)c(NCc2ccncc2)n1
InChIInChI=1S/C12H14ClN5O/c1-19-7-9-17-11(13)10(14)12(18-9)16-6-8-2-4-15-5-3-8/h2-5H,6-7,14H2,1H3,(H,16,17,18)
InChIKeyVQFNQHGFNZCHSK-UHFFFAOYSA-N
XLogP1.87
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458569
6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82459412
6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459523
6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82459433
6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82458261
6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 82459192
2-tert-butyl-6-chloro-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5-diamine
CID 82459346
6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine
CID 154798091
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456714
6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine
CID 79021830
4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 130234648
6-chloro-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773536

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine (CID 82459444) is 6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine is COCc1nc(Cl)c(N)c(NCc2ccncc2)n1.
What is the InChIKey of 6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is VQFNQHGFNZCHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-19-7-9-17-11(13)10(14)12(18-9)16-6-8-2-4-15-5-3-8/h2-5H,6-7,14H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine?
6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 279.73 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).