2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine

C11H20N4O — CID 80837494

IUPAC2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(CC)COC)n1
InChIInChI=1S/C11H20N4O/c1-4-9(8-16-3)14-10-6-7-13-11(15-10)12-5-2/h6-7,9H,4-5,8H2,1-3H3,(H2,12,13,14,15)
InChIKeyXYNZVUSODYSCMV-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.75
Rot. Bonds7

About 2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80837494) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine
PubChem CID80837494
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(CC)COC)n1
InChIInChI=1S/C11H20N4O/c1-4-9(8-16-3)14-10-6-7-13-11(15-10)12-5-2/h6-7,9H,4-5,8H2,1-3H3,(H2,12,13,14,15)
InChIKeyXYNZVUSODYSCMV-UHFFFAOYSA-N
XLogP1.75
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837219
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106198786
4-iodo-N-(1-methoxybutan-2-yl)pyridin-2-amine
CID 163875838
6-N-(1-methoxybutan-2-yl)-2-N-methylpyridine-2,6-diamine
CID 80836609
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine
CID 80836524
2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800278
4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
CID 80807193
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801501

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine (CID 80837494) is 2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine is CCNc1nccc(NC(CC)COC)n1.
What is the InChIKey of 2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is XYNZVUSODYSCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-9(8-16-3)14-10-6-7-13-11(15-10)12-5-2/h6-7,9H,4-5,8H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.75, 7 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-methoxybutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80837494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).