ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine

C15H28N4 — CID 155742303

IUPACethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine
SMILESCC.CC(C)Cc1cnc(N2CCNCC2C)nc1
InChIInChI=1S/C13H22N4.C2H6/c1-10(2)6-12-8-15-13(16-9-12)17-5-4-14-7-11(17)3;1-2/h8-11,14H,4-7H2,1-3H3;1-2H3
InChIKeyAATSLUIOZSUFPD-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.50
Rot. Bonds3

About ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine

ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine (PubChem CID 155742303) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Nameethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine
PubChem CID155742303
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Nameethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine
SMILESCC.CC(C)Cc1cnc(N2CCNCC2C)nc1
InChIInChI=1S/C13H22N4.C2H6/c1-10(2)6-12-8-15-13(16-9-12)17-5-4-14-7-11(17)3;1-2/h8-11,14H,4-7H2,1-3H3;1-2H3
InChIKeyAATSLUIOZSUFPD-UHFFFAOYSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(5-propyl-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarbothioamide
CID 2811495
2-[4-(Methylsulfonyl)piperazino]-5-propylpyrimidine
CID 2812707
3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007
5-(Piperidin-4-yl)pyrimidine
CID 24904194
5-Butyl-2-pyrimidinamine
CID 45071698
5-Pyrimidinepropanamine hydrochloride (1:1)
CID 122235941
2-methyl-N-(1-methyl-2-pyrazin-2-ylethyl)-5-propylpyrimidin-4-amine
CID 50951797
N~4~,N~4~,5-trimethyl-N~2~-(1-methyl-2-pyrazin-2-ylethyl)pyrimidine-2,4-diamine
CID 50951856
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72859157
5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72928341

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine?
The IUPAC name of ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine (CID 155742303) is ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine.
What is the SMILES notation for ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine?
The canonical SMILES for ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine is CC.CC(C)Cc1cnc(N2CCNCC2C)nc1.
What is the InChIKey of ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine?
The InChIKey is AATSLUIOZSUFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4.C2H6/c1-10(2)6-12-8-15-13(16-9-12)17-5-4-14-7-11(17)3;1-2/h8-11,14H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine?
ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine has a molecular weight of 264.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylpiperazin-1-yl)-5-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 155742303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).