2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine

C17H21N3O — CID 99718666

IUPAC2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine
SMILESC[C@H](Nc1ccnc(Cc2ccccc2)n1)[C@H]1CCOC1
InChIInChI=1S/C17H21N3O/c1-13(15-8-10-21-12-15)19-16-7-9-18-17(20-16)11-14-5-3-2-4-6-14/h2-7,9,13,15H,8,10-12H2,1H3,(H,18,19,20)/t13-,15-/m0/s1
InChIKeyWGMKRNSXMQPZCZ-ZFWWWQNUSA-N
MW283.38 g/mol
LogP2.90
Rot. Bonds5

About 2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine

2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine (PubChem CID 99718666) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine
PubChem CID99718666
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine
SMILESC[C@H](Nc1ccnc(Cc2ccccc2)n1)[C@H]1CCOC1
InChIInChI=1S/C17H21N3O/c1-13(15-8-10-21-12-15)19-16-7-9-18-17(20-16)11-14-5-3-2-4-6-14/h2-7,9,13,15H,8,10-12H2,1H3,(H,18,19,20)/t13-,15-/m0/s1
InChIKeyWGMKRNSXMQPZCZ-ZFWWWQNUSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 129473602
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 104696520
2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine
CID 99718859
N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115916542
N-[1-(oxolan-3-yl)ethyl]-1-phenylimidazol-2-amine
CID 106582644
N-benzyl-1-(oxan-3-yl)ethanamine
CID 130667431
2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine
CID 166384238
6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115658056
1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104865520
N-methyl-1-(oxolan-3-yl)-2-pyridin-2-ylethanamine
CID 63563236
3-nitro-6-[1-(oxolan-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103472104

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine (CID 99718666) is 2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine is C[C@H](Nc1ccnc(Cc2ccccc2)n1)[C@H]1CCOC1.
What is the InChIKey of 2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine?
The InChIKey is WGMKRNSXMQPZCZ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(15-8-10-21-12-15)19-16-7-9-18-17(20-16)11-14-5-3-2-4-6-14/h2-7,9,13,15H,8,10-12H2,1H3,(H,18,19,20)/t13-,15-/m0/s1.
What are the key properties of 2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine?
2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 99718666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).