2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine

C15H24N4O2 — CID 82456275

IUPAC2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C2CC2)nc(NCC2CCCO2)c1N
InChIInChI=1S/C15H24N4O2/c1-2-7-21-15-12(16)14(17-9-11-4-3-8-20-11)18-13(19-15)10-5-6-10/h10-11H,2-9,16H2,1H3,(H,17,18,19)
InChIKeyYBJYXEQIJZGZHO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.32
Rot. Bonds7

About 2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine

2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine (PubChem CID 82456275) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine
PubChem CID82456275
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C2CC2)nc(NCC2CCCO2)c1N
InChIInChI=1S/C15H24N4O2/c1-2-7-21-15-12(16)14(17-9-11-4-3-8-20-11)18-13(19-15)10-5-6-10/h10-11H,2-9,16H2,1H3,(H,17,18,19)
InChIKeyYBJYXEQIJZGZHO-UHFFFAOYSA-N
XLogP2.32
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-(2-methoxyethoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456345
6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82457877
2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine
CID 82458510
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
CID 82457921
2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine
CID 82456267
2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82458758
2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine
CID 82458504
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456522
6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine
CID 82456312
2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82456280
6-chloro-2-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459193

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine (CID 82456275) is 2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine is CCCOc1nc(C2CC2)nc(NCC2CCCO2)c1N.
What is the InChIKey of 2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine?
The InChIKey is YBJYXEQIJZGZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-7-21-15-12(16)14(17-9-11-4-3-8-20-11)18-13(19-15)10-5-6-10/h10-11H,2-9,16H2,1H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine?
2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine has a molecular weight of 292.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82456275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).