5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine

C14H21BrN4 — CID 99856575

IUPAC5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESBrc1cncnc1N1CCC[C@H]1CN1CCCCC1
InChIInChI=1S/C14H21BrN4/c15-13-9-16-11-17-14(13)19-8-4-5-12(19)10-18-6-2-1-3-7-18/h9,11-12H,1-8,10H2/t12-/m0/s1
InChIKeyMNILEUYMMKGWNZ-LBPRGKRZSA-N
MW325.25 g/mol
LogP2.69
Rot. Bonds3

About 5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine

5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 99856575) has the molecular formula C14H21BrN4 and a molecular weight of 325.25 g/mol. Its IUPAC name is 5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID99856575
Molecular FormulaC14H21BrN4
Molecular Weight325.25 g/mol
Exact Mass324.09
IUPAC Name5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESBrc1cncnc1N1CCC[C@H]1CN1CCCCC1
InChIInChI=1S/C14H21BrN4/c15-13-9-16-11-17-14(13)19-8-4-5-12(19)10-18-6-2-1-3-7-18/h9,11-12H,1-8,10H2/t12-/m0/s1
InChIKeyMNILEUYMMKGWNZ-LBPRGKRZSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromopyrimidin-4-yl)-2-(chloromethyl)azepane
CID 116638846
1-(5-bromopyrimidin-4-yl)-2-methylazepane
CID 66321136
5-fluoro-2-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 86801747
5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine
CID 66340176
(4aR,8aR)-1-(5-bromopyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 97061975
[1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine
CID 116640270
2-(chloromethyl)-1-(3,5-dibromo-2-pyridinyl)azepane
CID 116638871
4-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 79915702
N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 83106045
5-bromo-4-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 128969802
3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine
CID 63389740
5-bromo-4-[3-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 66320965

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine (CID 99856575) is 5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine is Brc1cncnc1N1CCC[C@H]1CN1CCCCC1.
What is the InChIKey of 5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is MNILEUYMMKGWNZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21BrN4/c15-13-9-16-11-17-14(13)19-8-4-5-12(19)10-18-6-2-1-3-7-18/h9,11-12H,1-8,10H2/t12-/m0/s1.
What are the key properties of 5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 325.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 99856575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).