N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine

C13H19N5O — CID 66329570

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NCCc2nccn2C)ncn1
InChIInChI=1S/C13H19N5O/c1-10(2)19-13-8-11(16-9-17-13)14-5-4-12-15-6-7-18(12)3/h6-10H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyAQEHQFAKSJLNLI-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.65
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 66329570) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
PubChem CID66329570
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NCCc2nccn2C)ncn1
InChIInChI=1S/C13H19N5O/c1-10(2)19-13-8-11(16-9-17-13)14-5-4-12-15-6-7-18(12)3/h6-10H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyAQEHQFAKSJLNLI-UHFFFAOYSA-N
XLogP1.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 138030384
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61242268
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 66327115
N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66331408
6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 66329575
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66325709
N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 82874280
4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863973
N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66325096
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125170663
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine (CID 66329570) is N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1cc(NCCc2nccn2C)ncn1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is AQEHQFAKSJLNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)19-13-8-11(16-9-17-13)14-5-4-12-15-6-7-18(12)3/h6-10H,4-5H2,1-3H3,(H,14,16,17).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 66329570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).