2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine

C12H22N4 — CID 86023388

IUPAC2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine
SMILESCC1=NCCCN1CCN1CCCN=C1C
InChIInChI=1S/C12H22N4/c1-11-13-5-3-7-15(11)9-10-16-8-4-6-14-12(16)2/h3-10H2,1-2H3
InChIKeyDRFLBCPZXPRYAW-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.23
Rot. Bonds3

About 2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine

2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine (PubChem CID 86023388) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine
PubChem CID86023388
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine
SMILESCC1=NCCCN1CCN1CCCN=C1C
InChIInChI=1S/C12H22N4/c1-11-13-5-3-7-15(11)9-10-16-8-4-6-14-12(16)2/h3-10H2,1-2H3
InChIKeyDRFLBCPZXPRYAW-UHFFFAOYSA-N
XLogP1.23
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine (CID 86023388) is 2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine is CC1=NCCCN1CCN1CCCN=C1C.
What is the InChIKey of 2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine?
The InChIKey is DRFLBCPZXPRYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11-13-5-3-7-15(11)9-10-16-8-4-6-14-12(16)2/h3-10H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine?
2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine has a molecular weight of 222.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 86023388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).