6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine

C12H23N5O — CID 80837603

IUPAC6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
SMILESCCCC(COC)Nc1cc(NCC)nc(N)n1
InChIInChI=1S/C12H23N5O/c1-4-6-9(8-18-3)15-11-7-10(14-5-2)16-12(13)17-11/h7,9H,4-6,8H2,1-3H3,(H4,13,14,15,16,17)
InChIKeyGHUDICCFUITXRY-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.72
Rot. Bonds8

About 6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine (PubChem CID 80837603) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
PubChem CID80837603
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
SMILESCCCC(COC)Nc1cc(NCC)nc(N)n1
InChIInChI=1S/C12H23N5O/c1-4-6-9(8-18-3)15-11-7-10(14-5-2)16-12(13)17-11/h7,9H,4-6,8H2,1-3H3,(H4,13,14,15,16,17)
InChIKeyGHUDICCFUITXRY-UHFFFAOYSA-N
XLogP1.72
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine
CID 80818389
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80840157
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 80836840
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 113401520
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565215
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198670
6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028897

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine (CID 80837603) is 6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine is CCCC(COC)Nc1cc(NCC)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine?
The InChIKey is GHUDICCFUITXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-6-9(8-18-3)15-11-7-10(14-5-2)16-12(13)17-11/h7,9H,4-6,8H2,1-3H3,(H4,13,14,15,16,17).
What are the key properties of 6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine has a molecular weight of 253.35 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80837603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).