2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C9H16N4 — CID 80765362

IUPAC2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(C)C)n1
InChIInChI=1S/C9H16N4/c1-4-10-9-11-6-5-8(13-9)12-7(2)3/h5-7H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyNRNMNEGMUYGVSS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.73
Rot. Bonds4

About 2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 80765362) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID80765362
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(C)C)n1
InChIInChI=1S/C9H16N4/c1-4-10-9-11-6-5-8(13-9)12-7(2)3/h5-7H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyNRNMNEGMUYGVSS-UHFFFAOYSA-N
XLogP1.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
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-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80808164
2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801501
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112881992
2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine
CID 80837494
2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855731
2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807159
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 80765362) is 2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine is CCNc1nccc(NC(C)C)n1.
What is the InChIKey of 2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is NRNMNEGMUYGVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-10-9-11-6-5-8(13-9)12-7(2)3/h5-7H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80765362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).