2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine

C10H15ClN4 — CID 97163267

IUPAC2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
SMILESC[C@@H]1CN(Cc2ccnc(Cl)n2)CCN1
InChIInChI=1S/C10H15ClN4/c1-8-6-15(5-4-12-8)7-9-2-3-13-10(11)14-9/h2-3,8,12H,4-7H2,1H3/t8-/m1/s1
InChIKeyYMPFZJDYIXIMKQ-MRVPVSSYSA-N
MW226.71 g/mol
LogP0.92
Rot. Bonds2

About 2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine

2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine (PubChem CID 97163267) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
PubChem CID97163267
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
SMILESC[C@@H]1CN(Cc2ccnc(Cl)n2)CCN1
InChIInChI=1S/C10H15ClN4/c1-8-6-15(5-4-12-8)7-9-2-3-13-10(11)14-9/h2-3,8,12H,4-7H2,1H3/t8-/m1/s1
InChIKeyYMPFZJDYIXIMKQ-MRVPVSSYSA-N
XLogP0.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol
CID 131185921
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 103055291
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 131160294
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 71639382
2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119924520

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine (CID 97163267) is 2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine is C[C@@H]1CN(Cc2ccnc(Cl)n2)CCN1.
What is the InChIKey of 2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine?
The InChIKey is YMPFZJDYIXIMKQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-8-6-15(5-4-12-8)7-9-2-3-13-10(11)14-9/h2-3,8,12H,4-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine?
2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine has a molecular weight of 226.71 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 97163267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).