N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

C18H25N3 — CID 62758071

IUPACN-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C)cc(Cc2ncc(CNCC(C)C)cn2)c1
InChIInChI=1S/C18H25N3/c1-13(2)9-19-10-17-11-20-18(21-12-17)8-16-6-14(3)5-15(4)7-16/h5-7,11-13,19H,8-10H2,1-4H3
InChIKeyDUWYKWUVQZANBZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.43
Rot. Bonds6

About N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62758071) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62758071
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C)cc(Cc2ncc(CNCC(C)C)cn2)c1
InChIInChI=1S/C18H25N3/c1-13(2)9-19-10-17-11-20-18(21-12-17)8-16-6-14(3)5-15(4)7-16/h5-7,11-13,19H,8-10H2,1-4H3
InChIKeyDUWYKWUVQZANBZ-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62756426
N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62757153
2-methyl-N-[[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65137560
(1S)-1-[2-[(3,5-dimethylphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431528
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine
CID 107783250
N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757123
N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 64533832
N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 113388029
3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731563
N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116778841
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639461

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 62758071) is N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is Cc1cc(C)cc(Cc2ncc(CNCC(C)C)cn2)c1.
What is the InChIKey of N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DUWYKWUVQZANBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13(2)9-19-10-17-11-20-18(21-12-17)8-16-6-14(3)5-15(4)7-16/h5-7,11-13,19H,8-10H2,1-4H3.
What are the key properties of N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62758071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).