6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine

C17H27N5O — CID 92638481

IUPAC6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCNc1cc(CN(C)CC2=CCCOC2)nc([C@H]2CCCN2)n1
InChIInChI=1S/C17H27N5O/c1-18-16-9-14(20-17(21-16)15-6-3-7-19-15)11-22(2)10-13-5-4-8-23-12-13/h5,9,15,19H,3-4,6-8,10-12H2,1-2H3,(H,18,20,21)/t15-/m1/s1
InChIKeyKSGIZYMBLLVAHV-OAHLLOKOSA-N
MW317.44 g/mol
LogP1.72
Rot. Bonds6

About 6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine

6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine (PubChem CID 92638481) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
PubChem CID92638481
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCNc1cc(CN(C)CC2=CCCOC2)nc([C@H]2CCCN2)n1
InChIInChI=1S/C17H27N5O/c1-18-16-9-14(20-17(21-16)15-6-3-7-19-15)11-22(2)10-13-5-4-8-23-12-13/h5,9,15,19H,3-4,6-8,10-12H2,1-2H3,(H,18,20,21)/t15-/m1/s1
InChIKeyKSGIZYMBLLVAHV-OAHLLOKOSA-N
XLogP1.72
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride
CID 171687266
6-[(dimethylamino)methyl]-N-methyl-2-piperidin-2-ylpyrimidin-4-amine
CID 66509772
N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
CID 110092434
N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
CID 110092413
4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 110092409
N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 110092399
N-methyl-N-[[6-(methylamino)-2-[(2S)-piperidin-2-yl]pyrimidin-4-yl]methyl]-2-phenylbenzamide
CID 92624281
N-methyl-6-[(2S)-pyrrolidin-2-yl]pyrazin-2-amine
CID 92615120
N-methyl-2-(oxan-4-yl)-6-propylpyrimidin-4-amine
CID 62385584
4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
CID 155895891
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone
CID 110092528
4-methyl-6-(2-methylpropyl)-2-piperidin-2-ylpyrimidine
CID 116893407

Frequently Asked Questions

What is the IUPAC name of 6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine (CID 92638481) is 6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine is CNc1cc(CN(C)CC2=CCCOC2)nc([C@H]2CCCN2)n1.
What is the InChIKey of 6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine?
The InChIKey is KSGIZYMBLLVAHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N5O/c1-18-16-9-14(20-17(21-16)15-6-3-7-19-15)11-22(2)10-13-5-4-8-23-12-13/h5,9,15,19H,3-4,6-8,10-12H2,1-2H3,(H,18,20,21)/t15-/m1/s1.
What are the key properties of 6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine?
6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine has a molecular weight of 317.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 92638481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).