4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine

C14H22N4 — CID 112883991

IUPAC4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCC1CCN(c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C14H22N4/c1-12-5-10-17(11-6-12)13-4-7-15-14(16-13)18-8-2-3-9-18/h4,7,12H,2-3,5-6,8-11H2,1H3
InChIKeyRTRVJVDGLVWMEY-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.31
Rot. Bonds2

About 4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine

4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine (PubChem CID 112883991) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
PubChem CID112883991
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCC1CCN(c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C14H22N4/c1-12-5-10-17(11-6-12)13-4-7-15-14(16-13)18-8-2-3-9-18/h4,7,12H,2-3,5-6,8-11H2,1H3
InChIKeyRTRVJVDGLVWMEY-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885063
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
4-chloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 130067368
2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112885319
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine (CID 112883991) is 4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine is CC1CCN(c2ccnc(N3CCCC3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is RTRVJVDGLVWMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12-5-10-17(11-6-12)13-4-7-15-14(16-13)18-8-2-3-9-18/h4,7,12H,2-3,5-6,8-11H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 246.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 112883991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).