N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine

C19H23BrN4 — CID 172893185

IUPACN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine
SMILESBrc1ccccc1CN1CCC(Nc2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C19H23BrN4/c20-17-4-2-1-3-15(17)13-24-11-8-16(9-12-24)22-18-7-10-21-19(23-18)14-5-6-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,21,22,23)
InChIKeyXVTUHWYMYDSTKZ-UHFFFAOYSA-N
MW387.33 g/mol
LogP4.19
Rot. Bonds5

About N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine

N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine (PubChem CID 172893185) has the molecular formula C19H23BrN4 and a molecular weight of 387.33 g/mol. Its IUPAC name is N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine
PubChem CID172893185
Molecular FormulaC19H23BrN4
Molecular Weight387.33 g/mol
Exact Mass386.11
IUPAC NameN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine
SMILESBrc1ccccc1CN1CCC(Nc2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C19H23BrN4/c20-17-4-2-1-3-15(17)13-24-11-8-16(9-12-24)22-18-7-10-21-19(23-18)14-5-6-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,21,22,23)
InChIKeyXVTUHWYMYDSTKZ-UHFFFAOYSA-N
XLogP4.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine
CID 5244470
N-[4-[[4-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 172902381
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine
CID 175649469
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126888559
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
2-cyclopropyl-N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904212
4-N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172902237
N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine
CID 4568305

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine (CID 172893185) is N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine is Brc1ccccc1CN1CCC(Nc2ccnc(C3CC3)n2)CC1.
What is the InChIKey of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine?
The InChIKey is XVTUHWYMYDSTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4/c20-17-4-2-1-3-15(17)13-24-11-8-16(9-12-24)22-18-7-10-21-19(23-18)14-5-6-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,21,22,23).
What are the key properties of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine?
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine has a molecular weight of 387.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 172893185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).