5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine

C14H25ClN4 — CID 80799979

IUPAC5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(N(CC)CC(CC)CC)n1
InChIInChI=1S/C14H25ClN4/c1-5-11(6-2)10-19(8-4)13-12(15)9-17-14(18-13)16-7-3/h9,11H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyXZASFTTUDNBWAZ-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.82
Rot. Bonds8

About 5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine

5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine (PubChem CID 80799979) has the molecular formula C14H25ClN4 and a molecular weight of 284.83 g/mol. Its IUPAC name is 5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine
PubChem CID80799979
Molecular FormulaC14H25ClN4
Molecular Weight284.83 g/mol
Exact Mass284.18
IUPAC Name5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(N(CC)CC(CC)CC)n1
InChIInChI=1S/C14H25ClN4/c1-5-11(6-2)10-19(8-4)13-12(15)9-17-14(18-13)16-7-3/h9,11H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyXZASFTTUDNBWAZ-UHFFFAOYSA-N
XLogP3.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80808649
5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774761
5-chloro-2-N-ethyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80795233
4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80799829
5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80817817
N-ethyl-N-(2-ethylbutyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80896487
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80806625
3-[ethyl-[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanenitrile
CID 80805778
5-chloro-4-N-(2-ethoxyethyl)-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 81067674
3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine
CID 62293550

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine (CID 80799979) is 5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(N(CC)CC(CC)CC)n1.
What is the InChIKey of 5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine?
The InChIKey is XZASFTTUDNBWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-5-11(6-2)10-19(8-4)13-12(15)9-17-14(18-13)16-7-3/h9,11H,5-8,10H2,1-4H3,(H,16,17,18).
What are the key properties of 5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine?
5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine has a molecular weight of 284.83 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80799979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).