2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C11H17ClN4O — CID 55080944

IUPAC2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCN2CCOCC2)nc(Cl)n1
InChIInChI=1S/C11H17ClN4O/c1-9-8-10(15-11(12)14-9)13-2-3-16-4-6-17-7-5-16/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyZDMUTULGJVITSA-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.18
Rot. Bonds4

About 2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 55080944) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID55080944
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCN2CCOCC2)nc(Cl)n1
InChIInChI=1S/C11H17ClN4O/c1-9-8-10(15-11(12)14-9)13-2-3-16-4-6-17-7-5-16/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyZDMUTULGJVITSA-UHFFFAOYSA-N
XLogP1.18
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 55080944) is 2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is Cc1cc(NCCN2CCOCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is ZDMUTULGJVITSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-9-8-10(15-11(12)14-9)13-2-3-16-4-6-17-7-5-16/h8H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 256.74 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 55080944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).