5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine

C9H16ClN5 — CID 106811925

IUPAC5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
SMILESCC(CNc1ncnc(N)c1Cl)N(C)C
InChIInChI=1S/C9H16ClN5/c1-6(15(2)3)4-12-9-7(10)8(11)13-5-14-9/h5-6H,4H2,1-3H3,(H3,11,12,13,14)
InChIKeyZFIALEGBQFMXGB-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.07
Rot. Bonds4

About 5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine

5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine (PubChem CID 106811925) has the molecular formula C9H16ClN5 and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
PubChem CID106811925
Molecular FormulaC9H16ClN5
Molecular Weight229.71 g/mol
Exact Mass229.11
IUPAC Name5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
SMILESCC(CNc1ncnc(N)c1Cl)N(C)C
InChIInChI=1S/C9H16ClN5/c1-6(15(2)3)4-12-9-7(10)8(11)13-5-14-9/h5-6H,4H2,1-3H3,(H3,11,12,13,14)
InChIKeyZFIALEGBQFMXGB-UHFFFAOYSA-N
XLogP1.07
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114176047
5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine
CID 114129038
5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 106812191
5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
CID 106812041
5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 106812270
5-chloro-4-N-(4-ethylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
CID 106812170
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 114049769

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine (CID 106811925) is 5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine is CC(CNc1ncnc(N)c1Cl)N(C)C.
What is the InChIKey of 5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The InChIKey is ZFIALEGBQFMXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-6(15(2)3)4-12-9-7(10)8(11)13-5-14-9/h5-6H,4H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine has a molecular weight of 229.71 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106811925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).