6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

C16H19BrN4O — CID 166382446

IUPAC6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@H]2COc2ccc(Br)cc2)ncn1
InChIInChI=1S/C16H19BrN4O/c1-18-15-9-16(20-11-19-15)21-8-2-3-13(21)10-22-14-6-4-12(17)5-7-14/h4-7,9,11,13H,2-3,8,10H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyVLGMXXDISMKSTN-ZDUSSCGKSA-N
MW363.26 g/mol
LogP3.33
Rot. Bonds5

About 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 166382446) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID166382446
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@H]2COc2ccc(Br)cc2)ncn1
InChIInChI=1S/C16H19BrN4O/c1-18-15-9-16(20-11-19-15)21-8-2-3-13(21)10-22-14-6-4-12(17)5-7-14/h4-7,9,11,13H,2-3,8,10H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyVLGMXXDISMKSTN-ZDUSSCGKSA-N
XLogP3.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
CID 146084662
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
6-[2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 136517302
6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127232
6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 166382441
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051
6-[(2S)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554031
6-(2,3-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80821891
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine
CID 102729101

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (CID 166382446) is 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is CNc1cc(N2CCC[C@H]2COc2ccc(Br)cc2)ncn1.
What is the InChIKey of 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is VLGMXXDISMKSTN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-18-15-9-16(20-11-19-15)21-8-2-3-13(21)10-22-14-6-4-12(17)5-7-14/h4-7,9,11,13H,2-3,8,10H2,1H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 363.26 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 166382446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).