6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine

C9H15ClN4O — CID 82459412

IUPAC6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCOCc1nc(Cl)c(N)c(NC(C)C)n1
InChIInChI=1S/C9H15ClN4O/c1-5(2)12-9-7(11)8(10)13-6(14-9)4-15-3/h5H,4,11H2,1-3H3,(H,12,13,14)
InChIKeyUQZZTGZAYISXSJ-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.68
Rot. Bonds4

About 6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine

6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 82459412) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine
PubChem CID82459412
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCOCc1nc(Cl)c(N)c(NC(C)C)n1
InChIInChI=1S/C9H15ClN4O/c1-5(2)12-9-7(11)8(10)13-6(14-9)4-15-3/h5H,4,11H2,1-3H3,(H,12,13,14)
InChIKeyUQZZTGZAYISXSJ-UHFFFAOYSA-N
XLogP1.68
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methoxymethyl)-6-(2-methylpropoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82458642
6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82459444
6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82459433
6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine
CID 82459180
2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455780
4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine
CID 63612316
6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 82459192
6-(2-methoxyethoxy)-4-N-propan-2-yl-2-propylpyrimidine-4,5-diamine
CID 82456150
4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459489
6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459498
6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459511
6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459485

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine (CID 82459412) is 6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine is COCc1nc(Cl)c(N)c(NC(C)C)n1.
What is the InChIKey of 6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is UQZZTGZAYISXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-5(2)12-9-7(11)8(10)13-6(14-9)4-15-3/h5H,4,11H2,1-3H3,(H,12,13,14).
What are the key properties of 6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 230.70 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 82459412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).