5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine

C12H19BrN4 — CID 115714889

IUPAC5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
SMILESCN1CCC(CCNc2ncncc2Br)CC1
InChIInChI=1S/C12H19BrN4/c1-17-6-3-10(4-7-17)2-5-15-12-11(13)8-14-9-16-12/h8-10H,2-7H2,1H3,(H,14,15,16)
InChIKeyYEWKFQQEYJAKSH-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.38
Rot. Bonds4

About 5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine

5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 115714889) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
PubChem CID115714889
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
SMILESCN1CCC(CCNc2ncncc2Br)CC1
InChIInChI=1S/C12H19BrN4/c1-17-6-3-10(4-7-17)2-5-15-12-11(13)8-14-9-16-12/h8-10H,2-7H2,1H3,(H,14,15,16)
InChIKeyYEWKFQQEYJAKSH-UHFFFAOYSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 66340780
5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66339705
N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 115599545
5-chloro-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-4,6-diamine
CID 114049894
N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
CID 115599555
3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine
CID 114516461
6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 114516488
5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
CID 66341211
6-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyrimidin-4-amine
CID 114516456
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208
5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 66343219
5-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine
CID 114515987

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine (CID 115714889) is 5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine is CN1CCC(CCNc2ncncc2Br)CC1.
What is the InChIKey of 5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is YEWKFQQEYJAKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-17-6-3-10(4-7-17)2-5-15-12-11(13)8-14-9-16-12/h8-10H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 299.22 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 115714889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).