[4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol

C20H30N8O — CID 142019428

IUPAC[4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESCC1CN(c2ccnc(CO)n2)CC(C)N1c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C20H30N8O/c1-15-12-27(18-4-6-21-17(14-29)23-18)13-16(2)28(15)19-5-7-22-20(24-19)26-10-8-25(3)9-11-26/h4-7,15-16,29H,8-14H2,1-3H3
InChIKeyDKJBZIWCSUTBIG-UHFFFAOYSA-N
MW398.52 g/mol
LogP0.61
Rot. Bonds4

About [4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol

[4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol (PubChem CID 142019428) has the molecular formula C20H30N8O and a molecular weight of 398.52 g/mol. Its IUPAC name is [4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol
PubChem CID142019428
Molecular FormulaC20H30N8O
Molecular Weight398.52 g/mol
Exact Mass398.25
IUPAC Name[4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESCC1CN(c2ccnc(CO)n2)CC(C)N1c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C20H30N8O/c1-15-12-27(18-4-6-21-17(14-29)23-18)13-16(2)28(15)19-5-7-22-20(24-19)26-10-8-25(3)9-11-26/h4-7,15-16,29H,8-14H2,1-3H3
InChIKeyDKJBZIWCSUTBIG-UHFFFAOYSA-N
XLogP0.61
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
CID 10869424
2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088548
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
CID 166601472
[2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol
CID 142019378
1-[4-[(3S,5R)-4-(2-acetylpyrimidin-4-yl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanone
CID 10291693
(1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 59083738
2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine
CID 123999488
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888108
2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088570
[2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83184289
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888119

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol?
The IUPAC name of [4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol (CID 142019428) is [4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol is CC1CN(c2ccnc(CO)n2)CC(C)N1c1ccnc(N2CCN(C)CC2)n1.
What is the InChIKey of [4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol?
The InChIKey is DKJBZIWCSUTBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8O/c1-15-12-27(18-4-6-21-17(14-29)23-18)13-16(2)28(15)19-5-7-22-20(24-19)26-10-8-25(3)9-11-26/h4-7,15-16,29H,8-14H2,1-3H3.
What are the key properties of [4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol?
[4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol has a molecular weight of 398.52 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 142019428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).