N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C16H23N3O — CID 110918244

IUPACN-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc(C2OCCCC2CNC2=NCCCN2)cc1
InChIInChI=1S/C16H23N3O/c1-2-6-13(7-3-1)15-14(8-4-11-20-15)12-19-16-17-9-5-10-18-16/h1-3,6-7,14-15H,4-5,8-12H2,(H2,17,18,19)
InChIKeyONRUVWMRYPHMAB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.09
Rot. Bonds3

About N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110918244) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110918244
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc(C2OCCCC2CNC2=NCCCN2)cc1
InChIInChI=1S/C16H23N3O/c1-2-6-13(7-3-1)15-14(8-4-11-20-15)12-19-16-17-9-5-10-18-16/h1-3,6-7,14-15H,4-5,8-12H2,(H2,17,18,19)
InChIKeyONRUVWMRYPHMAB-UHFFFAOYSA-N
XLogP2.09
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120513608
N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111428530
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120967393
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
(2S,4S)-2-methyl-N-[(2-phenyloxan-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624612
1-tert-butyl-2-methyl-3-[(2-phenyloxan-3-yl)methyl]guanidine
CID 110967240
1,3-dimethyl-4-nitro-N-[(2-phenyloxan-3-yl)methyl]pyrazol-5-amine
CID 47983510
2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol
CID 115645077
1-[(2R,3S)-2-phenyloxan-3-yl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
CID 137225330
3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47983521
5-methyl-N-[(2-phenyloxan-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119741480

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110918244) is N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is c1ccc(C2OCCCC2CNC2=NCCCN2)cc1.
What is the InChIKey of N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is ONRUVWMRYPHMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-6-13(7-3-1)15-14(8-4-11-20-15)12-19-16-17-9-5-10-18-16/h1-3,6-7,14-15H,4-5,8-12H2,(H2,17,18,19).
What are the key properties of N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110918244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).