6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine

C17H21N3O — CID 126447609

IUPAC6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine
SMILESc1ccc(CCCNc2cc([C@@H]3CCOC3)ncn2)cc1
InChIInChI=1S/C17H21N3O/c1-2-5-14(6-3-1)7-4-9-18-17-11-16(19-13-20-17)15-8-10-21-12-15/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,18,19,20)/t15-/m1/s1
InChIKeyYKRCUNFZJXLGBO-OAHLLOKOSA-N
MW283.38 g/mol
LogP3.03
Rot. Bonds6

About 6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine

6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine (PubChem CID 126447609) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine
PubChem CID126447609
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine
SMILESc1ccc(CCCNc2cc([C@@H]3CCOC3)ncn2)cc1
InChIInChI=1S/C17H21N3O/c1-2-5-14(6-3-1)7-4-9-18-17-11-16(19-13-20-17)15-8-10-21-12-15/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,18,19,20)/t15-/m1/s1
InChIKeyYKRCUNFZJXLGBO-OAHLLOKOSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
4-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 118770776
N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126453717
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine
CID 119074868
N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125177138
6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 126444749
N-[2-(2-chlorophenoxy)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119065142
N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126431410
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126444261
N-[(4-methylsulfanylphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119062722
N-[2-(4-fluorophenoxy)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119067292

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine (CID 126447609) is 6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine is c1ccc(CCCNc2cc([C@@H]3CCOC3)ncn2)cc1.
What is the InChIKey of 6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine?
The InChIKey is YKRCUNFZJXLGBO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-5-14(6-3-1)7-4-9-18-17-11-16(19-13-20-17)15-8-10-21-12-15/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,18,19,20)/t15-/m1/s1.
What are the key properties of 6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine?
6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 126447609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).