N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine

C17H23N3 — CID 144701693

IUPACN-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine
SMILESCc1ccccc1C(Nc1ncccn1)[C@@H](C)C(C)C
InChIInChI=1S/C17H23N3/c1-12(2)14(4)16(15-9-6-5-8-13(15)3)20-17-18-10-7-11-19-17/h5-12,14,16H,1-4H3,(H,18,19,20)/t14-,16?/m0/s1
InChIKeyMJFGMZIEENLTFS-LBAUFKAWSA-N
MW269.39 g/mol
LogP4.23
Rot. Bonds5

About N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine

N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine (PubChem CID 144701693) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine
PubChem CID144701693
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine
SMILESCc1ccccc1C(Nc1ncccn1)[C@@H](C)C(C)C
InChIInChI=1S/C17H23N3/c1-12(2)14(4)16(15-9-6-5-8-13(15)3)20-17-18-10-7-11-19-17/h5-12,14,16H,1-4H3,(H,18,19,20)/t14-,16?/m0/s1
InChIKeyMJFGMZIEENLTFS-LBAUFKAWSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801501
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
2-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978
1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene
CID 169096953
2-methyl-N-[2-methyl-1-(2-methylphenyl)propyl]cyclopropan-1-amine
CID 115898384
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 60709058
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
(2-methylphenyl)-pyrimidin-2-ylmethanamine
CID 60820195
(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 81375119
N-[1-(2-methylphenyl)ethyl]quinolin-8-amine
CID 43191669
3-methyl-2-[(2S)-2-(2-methylphenyl)propyl]pyridine
CID 165410451

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine?
The IUPAC name of N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine (CID 144701693) is N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine?
The canonical SMILES for N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine is Cc1ccccc1C(Nc1ncccn1)[C@@H](C)C(C)C.
What is the InChIKey of N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine?
The InChIKey is MJFGMZIEENLTFS-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)14(4)16(15-9-6-5-8-13(15)3)20-17-18-10-7-11-19-17/h5-12,14,16H,1-4H3,(H,18,19,20)/t14-,16?/m0/s1.
What are the key properties of N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine?
N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dimethyl-1-(2-methylphenyl)butyl]pyrimidin-2-amine is sourced from PubChem (CID 144701693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).