6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine

C10H10ClN5O — CID 106897364

IUPAC6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1NCc1cccnn1
InChIInChI=1S/C10H10ClN5O/c1-17-8-9(11)13-6-14-10(8)12-5-7-3-2-4-15-16-7/h2-4,6H,5H2,1H3,(H,12,13,14)
InChIKeyHSBUGHVMVCTMCB-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.54
Rot. Bonds4

About 6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine

6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 106897364) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
PubChem CID106897364
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1NCc1cccnn1
InChIInChI=1S/C10H10ClN5O/c1-17-8-9(11)13-6-14-10(8)12-5-7-3-2-4-15-16-7/h2-4,6H,5H2,1H3,(H,12,13,14)
InChIKeyHSBUGHVMVCTMCB-UHFFFAOYSA-N
XLogP1.54
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193509
5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898212
6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine
CID 106894823
6-chloro-5-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193149
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898193
6-chloro-5-methoxy-N-[(3-nitrophenyl)methyl]pyrimidin-4-amine
CID 106194851
6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine
CID 113229570
[1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115455244
5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897361
3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
CID 106898227
N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106832629

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine (CID 106897364) is 6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine is COc1c(Cl)ncnc1NCc1cccnn1.
What is the InChIKey of 6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is HSBUGHVMVCTMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-17-8-9(11)13-6-14-10(8)12-5-7-3-2-4-15-16-7/h2-4,6H,5H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 251.68 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106897364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).