N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C16H25N3O2 — CID 111105589

IUPACN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(C(C)(C)CNC2=NCCCN2)cc1OC
InChIInChI=1S/C16H25N3O2/c1-16(2,11-19-15-17-8-5-9-18-15)12-6-7-13(20-3)14(10-12)21-4/h6-7,10H,5,8-9,11H2,1-4H3,(H2,17,18,19)
InChIKeyGFFLSKMXJWFQIX-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.92
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 111105589) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID111105589
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(C(C)(C)CNC2=NCCCN2)cc1OC
InChIInChI=1S/C16H25N3O2/c1-16(2,11-19-15-17-8-5-9-18-15)12-6-7-13(20-3)14(10-12)21-4/h6-7,10H,5,8-9,11H2,1-4H3,(H2,17,18,19)
InChIKeyGFFLSKMXJWFQIX-UHFFFAOYSA-N
XLogP1.92
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 109467637
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
CID 110913670
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112673
N-[(2,4,5-trimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914310
1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
CID 3044563
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112672
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916050
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine
CID 82538489
2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927517
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
N-[[2-methoxy-6-(trifluoromethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120967403

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 111105589) is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine is COc1ccc(C(C)(C)CNC2=NCCCN2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is GFFLSKMXJWFQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,11-19-15-17-8-5-9-18-15)12-6-7-13(20-3)14(10-12)21-4/h6-7,10H,5,8-9,11H2,1-4H3,(H2,17,18,19).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 291.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 111105589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).