N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine

C9H13ClN4O2 — CID 83025406

IUPACN-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine
SMILESCOc1ncc(Cl)c(NN2CCOCC2)n1
InChIInChI=1S/C9H13ClN4O2/c1-15-9-11-6-7(10)8(12-9)13-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyCMPPVAHTYQNOQJ-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.80
Rot. Bonds3

About N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine

N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine (PubChem CID 83025406) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine
PubChem CID83025406
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC NameN-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine
SMILESCOc1ncc(Cl)c(NN2CCOCC2)n1
InChIInChI=1S/C9H13ClN4O2/c1-15-9-11-6-7(10)8(12-9)13-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyCMPPVAHTYQNOQJ-UHFFFAOYSA-N
XLogP0.80
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine (CID 83025406) is N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine is COc1ncc(Cl)c(NN2CCOCC2)n1.
What is the InChIKey of N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine?
The InChIKey is CMPPVAHTYQNOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-15-9-11-6-7(10)8(12-9)13-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,11,12,13).
What are the key properties of N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine?
N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine has a molecular weight of 244.68 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine is sourced from PubChem (CID 83025406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).