5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine

C13H15ClN6 — CID 50961410

IUPAC5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine
SMILESClc1cnc(N2CCN(Cc3cncnc3)CC2)nc1
InChIInChI=1S/C13H15ClN6/c14-12-7-17-13(18-8-12)20-3-1-19(2-4-20)9-11-5-15-10-16-6-11/h5-8,10H,1-4,9H2
InChIKeyUBYWJFYDEQBAJJ-UHFFFAOYSA-N
MW290.76 g/mol
LogP1.24
Rot. Bonds3

About 5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine

5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 50961410) has the molecular formula C13H15ClN6 and a molecular weight of 290.76 g/mol. Its IUPAC name is 5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID50961410
Molecular FormulaC13H15ClN6
Molecular Weight290.76 g/mol
Exact Mass290.10
IUPAC Name5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine
SMILESClc1cnc(N2CCN(Cc3cncnc3)CC2)nc1
InChIInChI=1S/C13H15ClN6/c14-12-7-17-13(18-8-12)20-3-1-19(2-4-20)9-11-5-15-10-16-6-11/h5-8,10H,1-4,9H2
InChIKeyUBYWJFYDEQBAJJ-UHFFFAOYSA-N
XLogP1.24
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158
4-(pyrimidin-5-ylmethyl)morpholine
CID 130750424
5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 166600720
5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
CID 171337721
N-[(4R)-1-(5-chloropyrimidin-2-yl)azepan-4-yl]-N-(pyrimidin-5-ylmethyl)acetamide
CID 129344352
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
CID 46838882
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8595561
6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 166605274
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 34160717
4-(5-chloropyrimidin-2-yl)-1,4-oxazepane
CID 134160397
1-(3-methyl-4-pyridinyl)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,4-diazepane
CID 70724320

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine (CID 50961410) is 5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine is Clc1cnc(N2CCN(Cc3cncnc3)CC2)nc1.
What is the InChIKey of 5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is UBYWJFYDEQBAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6/c14-12-7-17-13(18-8-12)20-3-1-19(2-4-20)9-11-5-15-10-16-6-11/h5-8,10H,1-4,9H2.
What are the key properties of 5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine?
5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 290.76 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 50961410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).