5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine

C14H25ClN4 — CID 80800808

IUPAC5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC(C)CCCC(C)C)n1
InChIInChI=1S/C14H25ClN4/c1-5-16-14-17-9-12(15)13(19-14)18-11(4)8-6-7-10(2)3/h9-11H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyWIFHYJRAZKJUBR-UHFFFAOYSA-N
MW284.84 g/mol
LogP4.19
Rot. Bonds8

About 5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80800808) has the molecular formula C14H25ClN4 and a molecular weight of 284.84 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
PubChem CID80800808
Molecular FormulaC14H25ClN4
Molecular Weight284.84 g/mol
Exact Mass284.18
IUPAC Name5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC(C)CCCC(C)C)n1
InChIInChI=1S/C14H25ClN4/c1-5-16-14-17-9-12(15)13(19-14)18-11(4)8-6-7-10(2)3/h9-11H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyWIFHYJRAZKJUBR-UHFFFAOYSA-N
XLogP4.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.84
LogP ≤ 54.19
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
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-bromo-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80801198
5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
CID 80805349
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786812
5-chloro-2-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80802503
5-chloro-4-N-(7-methyloctyl)-2-N-propylpyrimidine-2,4-diamine
CID 107818942
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-(6-methylheptan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine (CID 80800808) is 5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NC(C)CCCC(C)C)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is WIFHYJRAZKJUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-5-16-14-17-9-12(15)13(19-14)18-11(4)8-6-7-10(2)3/h9-11H,5-8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 284.84 g/mol, XLogP of 4.19, 8 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-(6-methylheptan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80800808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).