1,4-dimethyl-2-propan-2-yl-4H-pyrimidine

C9H16N2 — CID 146521690

IUPAC1,4-dimethyl-2-propan-2-yl-4H-pyrimidine
SMILESCC1C=CN(C)C(C(C)C)=N1
InChIInChI=1S/C9H16N2/c1-7(2)9-10-8(3)5-6-11(9)4/h5-8H,1-4H3
InChIKeyYDDGQWRPVBIEJX-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds1

About 1,4-dimethyl-2-propan-2-yl-4H-pyrimidine

1,4-dimethyl-2-propan-2-yl-4H-pyrimidine (PubChem CID 146521690) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,4-dimethyl-2-propan-2-yl-4H-pyrimidine.

Molecular Properties

Compound Name1,4-dimethyl-2-propan-2-yl-4H-pyrimidine
PubChem CID146521690
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,4-dimethyl-2-propan-2-yl-4H-pyrimidine
SMILESCC1C=CN(C)C(C(C)C)=N1
InChIInChI=1S/C9H16N2/c1-7(2)9-10-8(3)5-6-11(9)4/h5-8H,1-4H3
InChIKeyYDDGQWRPVBIEJX-UHFFFAOYSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-propan-2-yl-4H-pyrimidine?
The IUPAC name of 1,4-dimethyl-2-propan-2-yl-4H-pyrimidine (CID 146521690) is 1,4-dimethyl-2-propan-2-yl-4H-pyrimidine.
What is the SMILES notation for 1,4-dimethyl-2-propan-2-yl-4H-pyrimidine?
The canonical SMILES for 1,4-dimethyl-2-propan-2-yl-4H-pyrimidine is CC1C=CN(C)C(C(C)C)=N1.
What is the InChIKey of 1,4-dimethyl-2-propan-2-yl-4H-pyrimidine?
The InChIKey is YDDGQWRPVBIEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9-10-8(3)5-6-11(9)4/h5-8H,1-4H3.
What are the key properties of 1,4-dimethyl-2-propan-2-yl-4H-pyrimidine?
1,4-dimethyl-2-propan-2-yl-4H-pyrimidine has a molecular weight of 152.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-propan-2-yl-4H-pyrimidine is sourced from PubChem (CID 146521690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).