6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine

C14H25N5O2 — CID 129426355

IUPAC6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine
SMILESCOCCN(C)c1ncnc(N(C)C[C@H]2CCCO2)c1N
InChIInChI=1S/C14H25N5O2/c1-18(6-8-20-3)13-12(15)14(17-10-16-13)19(2)9-11-5-4-7-21-11/h10-11H,4-9,15H2,1-3H3/t11-/m1/s1
InChIKeyMIHPRZQGVOQMTK-LLVKDONJSA-N
MW295.39 g/mol
LogP0.76
Rot. Bonds7

About 6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine

6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine (PubChem CID 129426355) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine
PubChem CID129426355
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine
SMILESCOCCN(C)c1ncnc(N(C)C[C@H]2CCCO2)c1N
InChIInChI=1S/C14H25N5O2/c1-18(6-8-20-3)13-12(15)14(17-10-16-13)19(2)9-11-5-4-7-21-11/h10-11H,4-9,15H2,1-3H3/t11-/m1/s1
InChIKeyMIHPRZQGVOQMTK-LLVKDONJSA-N
XLogP0.76
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

N-Methyl-5-nitro-N'-(tetrahydro-furan-2-ylmethyl)-pyrimidine-2,4,6-triamine
CID 3290758
2-N,2-N-dimethyl-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 3622726
2-N-(2-methoxyethyl)-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 3285937
4-Morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137246
4-Morpholin-4-yl-6-piperidin-1-ylpyrimidin-5-amine
CID 19137429
4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80799882
5-Nitro-n4-((tetrahydrofuran-2-yl)methyl)pyrimidine-4,6-diamine
CID 2960839
N-[5-amino-6-(4-methoxypiperidino)-4-pyrimidinyl]-N-(2-morpholinoethyl)amine
CID 90488484
6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 91635589
4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 91635591
4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 91635593
6-amino-2-butoxy-9-(oxolan-2-ylmethyl)-7H-purin-8-one
CID 25024975

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine (CID 129426355) is 6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine is COCCN(C)c1ncnc(N(C)C[C@H]2CCCO2)c1N.
What is the InChIKey of 6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine?
The InChIKey is MIHPRZQGVOQMTK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-18(6-8-20-3)13-12(15)14(17-10-16-13)19(2)9-11-5-4-7-21-11/h10-11H,4-9,15H2,1-3H3/t11-/m1/s1.
What are the key properties of 6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine?
6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine has a molecular weight of 295.39 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-4-N,6-N-dimethyl-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 129426355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).