4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine

C13H21N7 — CID 80816885

IUPAC4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCCc2nccn2C)nc(N)n1
InChIInChI=1S/C13H21N7/c1-3-5-15-10-9-11(19-13(14)18-10)16-6-4-12-17-7-8-20(12)2/h7-9H,3-6H2,1-2H3,(H4,14,15,16,18,19)
InChIKeyCEXPWCPAEBCNNV-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.27
Rot. Bonds7

About 4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine

4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80816885) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80816885
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCCc2nccn2C)nc(N)n1
InChIInChI=1S/C13H21N7/c1-3-5-15-10-9-11(19-13(14)18-10)16-6-4-12-17-7-8-20(12)2/h7-9H,3-6H2,1-2H3,(H4,14,15,16,18,19)
InChIKeyCEXPWCPAEBCNNV-UHFFFAOYSA-N
XLogP1.27
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61242268
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 66327115
2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956295
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80831583
6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952506
5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816975
methanamine;1-methyl-2-propylimidazole
CID 164902083
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
6-N-ethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950520
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine (CID 80816885) is 4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NCCc2nccn2C)nc(N)n1.
What is the InChIKey of 4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is CEXPWCPAEBCNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-3-5-15-10-9-11(19-13(14)18-10)16-6-4-12-17-7-8-20(12)2/h7-9H,3-6H2,1-2H3,(H4,14,15,16,18,19).
What are the key properties of 4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 275.36 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80816885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).