5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

C13H19ClN6 — CID 80816975

IUPAC5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCCc2nccn2C)n1
InChIInChI=1S/C13H19ClN6/c1-3-5-17-13-18-9-10(14)12(19-13)16-6-4-11-15-7-8-20(11)2/h7-9H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyMGCKADFBMARJAD-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.34
Rot. Bonds7

About 5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80816975) has the molecular formula C13H19ClN6 and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80816975
Molecular FormulaC13H19ClN6
Molecular Weight294.79 g/mol
Exact Mass294.14
IUPAC Name5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCCc2nccn2C)n1
InChIInChI=1S/C13H19ClN6/c1-3-5-17-13-18-9-10(14)12(19-13)16-6-4-11-15-7-8-20(11)2/h7-9H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyMGCKADFBMARJAD-UHFFFAOYSA-N
XLogP2.34
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 102750907
4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine
CID 114046189
4-N,5-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80831497
4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80816885
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047
5-chloro-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816474
5-chloro-4-N-(7-methyloctyl)-2-N-propylpyrimidine-2,4-diamine
CID 107818942

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 80816975) is 5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(NCCc2nccn2C)n1.
What is the InChIKey of 5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is MGCKADFBMARJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6/c1-3-5-17-13-18-9-10(14)12(19-13)16-6-4-11-15-7-8-20(11)2/h7-9H,3-6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 294.79 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80816975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).