6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine

C12H20N4O2 — CID 82457859

IUPAC6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCOc1nc(C2CCCO2)nc(NC(C)C)c1N
InChIInChI=1S/C12H20N4O2/c1-7(2)14-11-9(13)12(17-3)16-10(15-11)8-5-4-6-18-8/h7-8H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyWDVAGBRMGWOOEV-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.74
Rot. Bonds4

About 6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine

6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 82457859) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
PubChem CID82457859
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCOc1nc(C2CCCO2)nc(NC(C)C)c1N
InChIInChI=1S/C12H20N4O2/c1-7(2)14-11-9(13)12(17-3)16-10(15-11)8-5-4-6-18-8/h7-8H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyWDVAGBRMGWOOEV-UHFFFAOYSA-N
XLogP1.74
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82457938
6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82457877
4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457954
4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457926
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
CID 82457921
6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82457953
6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
CID 82457901
6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457894
2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458480
2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458482
6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82459549
4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine
CID 82456171

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine (CID 82457859) is 6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine is COc1nc(C2CCCO2)nc(NC(C)C)c1N.
What is the InChIKey of 6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is WDVAGBRMGWOOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7(2)14-11-9(13)12(17-3)16-10(15-11)8-5-4-6-18-8/h7-8H,4-6,13H2,1-3H3,(H,14,15,16).
What are the key properties of 6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 252.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 82457859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).