4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine

C9H13ClN4O — CID 105486071

IUPAC4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(CN2CCOCC2)n1
InChIInChI=1S/C9H13ClN4O/c10-8-5-7(12-9(11)13-8)6-14-1-3-15-4-2-14/h5H,1-4,6H2,(H2,11,12,13)
InChIKeyZHQLNGXPGOTSRO-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.54
Rot. Bonds2

About 4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine

4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 105486071) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine
PubChem CID105486071
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(CN2CCOCC2)n1
InChIInChI=1S/C9H13ClN4O/c10-8-5-7(12-9(11)13-8)6-14-1-3-15-4-2-14/h5H,1-4,6H2,(H2,11,12,13)
InChIKeyZHQLNGXPGOTSRO-UHFFFAOYSA-N
XLogP0.54
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine
CID 105466429
4-[(5,7-dichloroimidazo[1,2-c]pyrimidin-2-yl)methyl]morpholine
CID 59313171
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
4-[(6-chloropyridazin-3-yl)methyl]morpholine
CID 104513452
6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide
CID 67238651
4-[(4,6-dichloropyrimidin-2-yl)oxymethyl]morpholine
CID 54387188
4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 46861553
4-(2-aminoethyl)-6-chloropyrimidin-2-amine
CID 83851850
4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane
CID 103054257
2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine
CID 11994653
4-[[2,6-di(propan-2-yl)pyrimidin-4-yl]methyl]morpholine
CID 138579238
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine (CID 105486071) is 4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine is Nc1nc(Cl)cc(CN2CCOCC2)n1.
What is the InChIKey of 4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is ZHQLNGXPGOTSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c10-8-5-7(12-9(11)13-8)6-14-1-3-15-4-2-14/h5H,1-4,6H2,(H2,11,12,13).
What are the key properties of 4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine?
4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 228.68 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 105486071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).