2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

C12H18ClN3O — CID 79075350

IUPAC2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(CC1CCCO1)c1nc(Cl)ncc1C
InChIInChI=1S/C12H18ClN3O/c1-3-16(8-10-5-4-6-17-10)11-9(2)7-14-12(13)15-11/h7,10H,3-6,8H2,1-2H3
InChIKeySQGAJZYZKVZBEB-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.44
Rot. Bonds4

About 2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 79075350) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID79075350
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(CC1CCCO1)c1nc(Cl)ncc1C
InChIInChI=1S/C12H18ClN3O/c1-3-16(8-10-5-4-6-17-10)11-9(2)7-14-12(13)15-11/h7,10H,3-6,8H2,1-2H3
InChIKeySQGAJZYZKVZBEB-UHFFFAOYSA-N
XLogP2.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 79075350) is 2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is CCN(CC1CCCO1)c1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is SQGAJZYZKVZBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-16(8-10-5-4-6-17-10)11-9(2)7-14-12(13)15-11/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 79075350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).