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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Related Compounds

3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80971304
N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 134707902
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 124859594
3-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062367
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729
4-N,2-diethyl-5-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80987253
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80800047
5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81438909

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).