5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine

C12H21ClN4 — CID 80822478

IUPAC5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
SMILESCCCCC(C)Nc1nc(NCC)ncc1Cl
InChIInChI=1S/C12H21ClN4/c1-4-6-7-9(3)16-11-10(13)8-15-12(17-11)14-5-2/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyZBYCVNBZHVJDSQ-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.55
Rot. Bonds7

About 5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine (PubChem CID 80822478) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
PubChem CID80822478
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
SMILESCCCCC(C)Nc1nc(NCC)ncc1Cl
InChIInChI=1S/C12H21ClN4/c1-4-6-7-9(3)16-11-10(13)8-15-12(17-11)14-5-2/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyZBYCVNBZHVJDSQ-UHFFFAOYSA-N
XLogP3.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
CID 80805349
5-chloro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028695
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675
5-bromo-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80801198
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786812
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801182
5-chloro-2-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80802503
5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80802191

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine (CID 80822478) is 5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine is CCCCC(C)Nc1nc(NCC)ncc1Cl.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine?
The InChIKey is ZBYCVNBZHVJDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-4-6-7-9(3)16-11-10(13)8-15-12(17-11)14-5-2/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine has a molecular weight of 256.78 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80822478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).