N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine

C12H17N5 — CID 80853860

IUPACN-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(-n2ccnc2)c1C(C)C
InChIInChI=1S/C12H17N5/c1-4-14-11-10(9(2)3)12(16-7-15-11)17-6-5-13-8-17/h5-9H,4H2,1-3H3,(H,14,15,16)
InChIKeySNKJJCQCYHSTGY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.22
Rot. Bonds4

About N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine

N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80853860) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80853860
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(-n2ccnc2)c1C(C)C
InChIInChI=1S/C12H17N5/c1-4-14-11-10(9(2)3)12(16-7-15-11)17-6-5-13-8-17/h5-9H,4H2,1-3H3,(H,14,15,16)
InChIKeySNKJJCQCYHSTGY-UHFFFAOYSA-N
XLogP2.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 23487256
N-ethyl-6-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80795362
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80822136
N-ethyl-6-(2-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80775470
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80791096
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80809433
N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80816600
4-N,6-N-diethyl-4-N-(2-methylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80774341
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine (CID 80853860) is N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(-n2ccnc2)c1C(C)C.
What is the InChIKey of N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is SNKJJCQCYHSTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-14-11-10(9(2)3)12(16-7-15-11)17-6-5-13-8-17/h5-9H,4H2,1-3H3,(H,14,15,16).
What are the key properties of N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80853860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).