4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine

C10H17ClN4 — CID 80765829

IUPAC4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC(C)CC)n1
InChIInChI=1S/C10H17ClN4/c1-4-7(3)14-9-8(11)6-13-10(15-9)12-5-2/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyCVOUBEWYBFROQA-UHFFFAOYSA-N
MW228.73 g/mol
LogP2.77
Rot. Bonds5

About 4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine

4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80765829) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80765829
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC(C)CC)n1
InChIInChI=1S/C10H17ClN4/c1-4-7(3)14-9-8(11)6-13-10(15-9)12-5-2/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyCVOUBEWYBFROQA-UHFFFAOYSA-N
XLogP2.77
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347504
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
5-chloro-2-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80802503
5-chloro-2-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80840435
5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80802191
5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
CID 80805349
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801182

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine (CID 80765829) is 4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NC(C)CC)n1.
What is the InChIKey of 4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is CVOUBEWYBFROQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-4-7(3)14-9-8(11)6-13-10(15-9)12-5-2/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine?
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 228.73 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80765829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).