2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C12H19ClN4O — CID 82460641

IUPAC2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)nc(NCCN2CCOCC2)c1C
InChIInChI=1S/C12H19ClN4O/c1-9-10(2)15-12(13)16-11(9)14-3-4-17-5-7-18-8-6-17/h3-8H2,1-2H3,(H,14,15,16)
InChIKeyMQAJUDHPEMCYKB-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.49
Rot. Bonds4

About 2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 82460641) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID82460641
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)nc(NCCN2CCOCC2)c1C
InChIInChI=1S/C12H19ClN4O/c1-9-10(2)15-12(13)16-11(9)14-3-4-17-5-7-18-8-6-17/h3-8H2,1-2H3,(H,14,15,16)
InChIKeyMQAJUDHPEMCYKB-UHFFFAOYSA-N
XLogP1.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 82460641) is 2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is Cc1nc(Cl)nc(NCCN2CCOCC2)c1C.
What is the InChIKey of 2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is MQAJUDHPEMCYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-9-10(2)15-12(13)16-11(9)14-3-4-17-5-7-18-8-6-17/h3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 270.76 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 82460641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).