6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine

C14H22N4O3 — CID 82457877

IUPAC6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCOc1nc(C2CCCO2)nc(NCC2CCCO2)c1N
InChIInChI=1S/C14H22N4O3/c1-19-14-11(15)13(16-8-9-4-2-6-20-9)17-12(18-14)10-5-3-7-21-10/h9-10H,2-8,15H2,1H3,(H,16,17,18)
InChIKeyWQIVRZNYVKQFMD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.51
Rot. Bonds5

About 6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine

6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 82457877) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
PubChem CID82457877
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCOc1nc(C2CCCO2)nc(NCC2CCCO2)c1N
InChIInChI=1S/C14H22N4O3/c1-19-14-11(15)13(16-8-9-4-2-6-20-9)17-12(18-14)10-5-3-7-21-10/h9-10H,2-8,15H2,1H3,(H,16,17,18)
InChIKeyWQIVRZNYVKQFMD-UHFFFAOYSA-N
XLogP1.51
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82457859
2-cyclopropyl-6-(2-methoxyethoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456345
2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine
CID 82456275
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
CID 82457921
4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457926
2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82458758
6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
CID 82457901
6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82457953
6-methoxy-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 43261205
6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457894
2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine
CID 7147197
5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine
CID 170726752

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine (CID 82457877) is 6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine is COc1nc(C2CCCO2)nc(NCC2CCCO2)c1N.
What is the InChIKey of 6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is WQIVRZNYVKQFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-19-14-11(15)13(16-8-9-4-2-6-20-9)17-12(18-14)10-5-3-7-21-10/h9-10H,2-8,15H2,1H3,(H,16,17,18).
What are the key properties of 6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 294.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82457877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).