6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine

C10H17ClN4O — CID 81059374

IUPAC6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine
SMILESCC(C)OCCN(C)c1ncnc(Cl)c1N
InChIInChI=1S/C10H17ClN4O/c1-7(2)16-5-4-15(3)10-8(12)9(11)13-6-14-10/h6-7H,4-5,12H2,1-3H3
InChIKeyJRBMCYOYPCVAQS-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.57
Rot. Bonds5

About 6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine

6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine (PubChem CID 81059374) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine
PubChem CID81059374
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine
SMILESCC(C)OCCN(C)c1ncnc(Cl)c1N
InChIInChI=1S/C10H17ClN4O/c1-7(2)16-5-4-15(3)10-8(12)9(11)13-6-14-10/h6-7H,4-5,12H2,1-3H3
InChIKeyJRBMCYOYPCVAQS-UHFFFAOYSA-N
XLogP1.57
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine (CID 81059374) is 6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine is CC(C)OCCN(C)c1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine?
The InChIKey is JRBMCYOYPCVAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-7(2)16-5-4-15(3)10-8(12)9(11)13-6-14-10/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine?
6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine has a molecular weight of 244.73 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 81059374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).