6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine

C12H16ClN5 — CID 114156857

IUPAC6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)c2ncc[nH]2)n1
InChIInChI=1S/C12H16ClN5/c1-3-4-10-17-9(13)7-11(18-10)16-8(2)12-14-5-6-15-12/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17,18)
InChIKeyMCLYUUPAEIGEBN-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.98
Rot. Bonds5

About 6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine

6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine (PubChem CID 114156857) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine
PubChem CID114156857
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)c2ncc[nH]2)n1
InChIInChI=1S/C12H16ClN5/c1-3-4-10-17-9(13)7-11(18-10)16-8(2)12-14-5-6-15-12/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17,18)
InChIKeyMCLYUUPAEIGEBN-UHFFFAOYSA-N
XLogP2.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-cyclopropyl-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 107257730
6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80940416
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine
CID 130934961
6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
CID 80940743
4-[1-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192790
6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 106196615
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
CID 80939216
4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 106196599
N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80940887

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine (CID 114156857) is 6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NC(C)c2ncc[nH]2)n1.
What is the InChIKey of 6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine?
The InChIKey is MCLYUUPAEIGEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-3-4-10-17-9(13)7-11(18-10)16-8(2)12-14-5-6-15-12/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17,18).
What are the key properties of 6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine?
6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine has a molecular weight of 265.75 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 114156857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).