N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine

C11H17BrN4 — CID 66318043

IUPACN-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine
SMILESNCC1(Nc2ncncc2Br)CCCCC1
InChIInChI=1S/C11H17BrN4/c12-9-6-14-8-15-10(9)16-11(7-13)4-2-1-3-5-11/h6,8H,1-5,7,13H2,(H,14,15,16)
InChIKeyRVSBUNBGXSEIRS-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.31
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine

N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine (PubChem CID 66318043) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine
PubChem CID66318043
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine
SMILESNCC1(Nc2ncncc2Br)CCCCC1
InChIInChI=1S/C11H17BrN4/c12-9-6-14-8-15-10(9)16-11(7-13)4-2-1-3-5-11/h6,8H,1-5,7,13H2,(H,14,15,16)
InChIKeyRVSBUNBGXSEIRS-UHFFFAOYSA-N
XLogP2.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106299315
5-bromo-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66341035
N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine
CID 106298229
N-[1-(aminomethyl)cyclohexyl]-3-methylpyrazin-2-amine
CID 83064303
N-[1-(aminomethyl)cyclopentyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63760165
N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine
CID 106543596
N-[1-(aminomethyl)cyclopentyl]-5-chloro-3-fluoropyridin-2-amine
CID 79727651
N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline
CID 65384494
N-[1-(aminomethyl)cyclopentyl]pyridin-4-amine
CID 63761781
5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
CID 66341211
[1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 80919373
[1-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 114072202

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine (CID 66318043) is N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine is NCC1(Nc2ncncc2Br)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine?
The InChIKey is RVSBUNBGXSEIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c12-9-6-14-8-15-10(9)16-11(7-13)4-2-1-3-5-11/h6,8H,1-5,7,13H2,(H,14,15,16).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine?
N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine has a molecular weight of 285.19 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine is sourced from PubChem (CID 66318043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).