2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

C18H22Cl4N6O2 — CID 159289441

IUPAC2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESClc1cc(Cl)nc(NCC2CCCO2)n1.Clc1cc(NCC2CCCO2)nc(Cl)n1
InChIInChI=1S/2C9H11Cl2N3O/c10-7-4-8(14-9(11)13-7)12-5-6-2-1-3-15-6;10-7-4-8(11)14-9(13-7)12-5-6-2-1-3-15-6/h2*4,6H,1-3,5H2,(H,12,13,14)
InChIKeyKZXQMIGZHBPBJY-UHFFFAOYSA-N
MW496.23 g/mol
LogP4.75
Rot. Bonds6

About 2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 159289441) has the molecular formula C18H22Cl4N6O2 and a molecular weight of 496.23 g/mol. Its IUPAC name is 2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
PubChem CID159289441
Molecular FormulaC18H22Cl4N6O2
Molecular Weight496.23 g/mol
Exact Mass494.06
IUPAC Name2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESClc1cc(Cl)nc(NCC2CCCO2)n1.Clc1cc(NCC2CCCO2)nc(Cl)n1
InChIInChI=1S/2C9H11Cl2N3O/c10-7-4-8(14-9(11)13-7)12-5-6-2-1-3-15-6;10-7-4-8(11)14-9(13-7)12-5-6-2-1-3-15-6/h2*4,6H,1-3,5H2,(H,12,13,14)
InChIKeyKZXQMIGZHBPBJY-UHFFFAOYSA-N
XLogP4.75
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.23
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 82460809
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
2-cyclopropyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967552
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912417
6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 113346443
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
4-chloro-N-(oxolan-2-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 87184940

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (CID 159289441) is 2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is Clc1cc(Cl)nc(NCC2CCCO2)n1.Clc1cc(NCC2CCCO2)nc(Cl)n1.
What is the InChIKey of 2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is KZXQMIGZHBPBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11Cl2N3O/c10-7-4-8(14-9(11)13-7)12-5-6-2-1-3-15-6;10-7-4-8(11)14-9(13-7)12-5-6-2-1-3-15-6/h2*4,6H,1-3,5H2,(H,12,13,14).
What are the key properties of 2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 496.23 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 159289441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).