5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine

C9H15ClN4 — CID 106811895

IUPAC5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)CNc1ncnc(N)c1Cl
InChIInChI=1S/C9H15ClN4/c1-9(2,3)4-12-8-6(10)7(11)13-5-14-8/h5H,4H2,1-3H3,(H3,11,12,13,14)
InChIKeyTUPWYXSBAVJXBU-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.17
Rot. Bonds2

About 5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine

5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine (PubChem CID 106811895) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
PubChem CID106811895
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)CNc1ncnc(N)c1Cl
InChIInChI=1S/C9H15ClN4/c1-9(2,3)4-12-8-6(10)7(11)13-5-14-8/h5H,4H2,1-3H3,(H3,11,12,13,14)
InChIKeyTUPWYXSBAVJXBU-UHFFFAOYSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 106812191
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine
CID 106812371
5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 106811925
3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198207
5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 106812270
4-N-(2,2-dimethylpropyl)-5-nitropyrimidine-4,6-diamine
CID 80798432
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 114049775
5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114117730
5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine
CID 106812243
5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
CID 106812041

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine (CID 106811895) is 5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine is CC(C)(C)CNc1ncnc(N)c1Cl.
What is the InChIKey of 5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine?
The InChIKey is TUPWYXSBAVJXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-9(2,3)4-12-8-6(10)7(11)13-5-14-8/h5H,4H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine has a molecular weight of 214.70 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106811895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).