N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine

C16H22N4O — CID 4269997

IUPACN-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1cc(C)nc(-n2cccc2CNCC2CCCO2)n1
InChIInChI=1S/C16H22N4O/c1-12-9-13(2)19-16(18-12)20-7-3-5-14(20)10-17-11-15-6-4-8-21-15/h3,5,7,9,15,17H,4,6,8,10-11H2,1-2H3
InChIKeyOYMPJVQPHLACOY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.15
Rot. Bonds5

About N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine

N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 4269997) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
PubChem CID4269997
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1cc(C)nc(-n2cccc2CNCC2CCCO2)n1
InChIInChI=1S/C16H22N4O/c1-12-9-13(2)19-16(18-12)20-7-3-5-14(20)10-17-11-15-6-4-8-21-15/h3,5,7,9,15,17H,4,6,8,10-11H2,1-2H3
InChIKeyOYMPJVQPHLACOY-UHFFFAOYSA-N
XLogP2.15
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine
CID 46784877
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970
1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126967597
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 122166158
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 122166065
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 43180162
N-[(1-methylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124559394
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine (CID 4269997) is N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine is Cc1cc(C)nc(-n2cccc2CNCC2CCCO2)n1.
What is the InChIKey of N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is OYMPJVQPHLACOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-9-13(2)19-16(18-12)20-7-3-5-14(20)10-17-11-15-6-4-8-21-15/h3,5,7,9,15,17H,4,6,8,10-11H2,1-2H3.
What are the key properties of N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 4269997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).