6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine

C16H28N4O — CID 80780441

IUPAC6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CC2CCCCO2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-5-17-15-14(12(2)3)16(19-11-18-15)20(4)10-13-8-6-7-9-21-13/h11-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeySRVWAAQXFQDFAY-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.04
Rot. Bonds6

About 6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80780441) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80780441
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CC2CCCCO2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-5-17-15-14(12(2)3)16(19-11-18-15)20(4)10-13-8-6-7-9-21-13/h11-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeySRVWAAQXFQDFAY-UHFFFAOYSA-N
XLogP3.04
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796274
6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 63728796
4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761918
5-ethyl-4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80796623
6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80814287
6-(oxolan-2-ylmethoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80859543
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848616
6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80896559
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80787141
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
CID 47357925
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80839941
4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 81067670

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80780441) is 6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(N(C)CC2CCCCO2)c1C(C)C.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is SRVWAAQXFQDFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-17-15-14(12(2)3)16(19-11-18-15)20(4)10-13-8-6-7-9-21-13/h11-13H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80780441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).