4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine

C28H42N10 — CID 57355688

IUPAC4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
SMILESc1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C28H42N10/c1-2-10-33(9-1)23-21-25(31-27(29-23)37-13-5-6-14-37)35-17-19-36(20-18-35)26-22-24(34-11-3-4-12-34)30-28(32-26)38-15-7-8-16-38/h21-22H,1-20H2
InChIKeyTVHYVPBPGBLKKD-UHFFFAOYSA-N
MW518.71 g/mol
LogP2.99
Rot. Bonds6

About 4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine

4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine (PubChem CID 57355688) has the molecular formula C28H42N10 and a molecular weight of 518.71 g/mol. Its IUPAC name is 4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
PubChem CID57355688
Molecular FormulaC28H42N10
Molecular Weight518.71 g/mol
Exact Mass518.36
IUPAC Name4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
SMILESc1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C28H42N10/c1-2-10-33(9-1)23-21-25(31-27(29-23)37-13-5-6-14-37)35-17-19-36(20-18-35)26-22-24(34-11-3-4-12-34)30-28(32-26)38-15-7-8-16-38/h21-22H,1-20H2
InChIKeyTVHYVPBPGBLKKD-UHFFFAOYSA-N
XLogP2.99
TPSA71.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.71
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
6-piperazin-1-yl-2-piperidin-1-ylpyrimidin-4-amine
CID 67718296
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
4-methyl-6-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155799816
4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155980957
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 166460131

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine (CID 57355688) is 4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine is c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1.
What is the InChIKey of 4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine?
The InChIKey is TVHYVPBPGBLKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N10/c1-2-10-33(9-1)23-21-25(31-27(29-23)37-13-5-6-14-37)35-17-19-36(20-18-35)26-22-24(34-11-3-4-12-34)30-28(32-26)38-15-7-8-16-38/h21-22H,1-20H2.
What are the key properties of 4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine?
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine has a molecular weight of 518.71 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 57355688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).