2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine

C13H24N4O — CID 80836840

IUPAC2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine
SMILESCCCC(COC)Nc1cc(C)nc(NCC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-11(9-18-4)16-12-8-10(3)15-13(17-12)14-6-2/h8,11H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyUMLCQHGUXXNVPT-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.44
Rot. Bonds8

About 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine

2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine (PubChem CID 80836840) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine
PubChem CID80836840
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine
SMILESCCCC(COC)Nc1cc(C)nc(NCC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-11(9-18-4)16-12-8-10(3)15-13(17-12)14-6-2/h8,11H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyUMLCQHGUXXNVPT-UHFFFAOYSA-N
XLogP2.44
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565215
6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491509
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785414
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 113401520
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358372
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842663
N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 106153905
2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
CID 137016467

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine (CID 80836840) is 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine is CCCC(COC)Nc1cc(C)nc(NCC)n1.
What is the InChIKey of 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is UMLCQHGUXXNVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-11(9-18-4)16-12-8-10(3)15-13(17-12)14-6-2/h8,11H,5-7,9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80836840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).