1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine

C13H23N3 — CID 62745995

IUPAC1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(CCC(C)C)nc1C
InChIInChI=1S/C13H23N3/c1-9(2)6-7-13-15-10(3)12(8-14-5)11(4)16-13/h9,14H,6-8H2,1-5H3
InChIKeySDRYKURWLUBSKP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.40
Rot. Bonds5

About 1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine

1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 62745995) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID62745995
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(CCC(C)C)nc1C
InChIInChI=1S/C13H23N3/c1-9(2)6-7-13-15-10(3)12(8-14-5)11(4)16-13/h9,14H,6-8H2,1-5H3
InChIKeySDRYKURWLUBSKP-UHFFFAOYSA-N
XLogP2.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 135271003
CID 135271003
CID 135271007
CID 135271007
CID 135271008
CID 135271008
CID 135271012
CID 135271012
CID 135271022
CID 135271022
CID 135271028
CID 135271028
CID 135271038
CID 135271038
CID 137381348
CID 137381348
CID 12250862
CID 12250862
CID 145979503
CID 145979503
CID 155512682
CID 155512682
CID 155543587
CID 155543587

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine (CID 62745995) is 1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine is CNCc1c(C)nc(CCC(C)C)nc1C.
What is the InChIKey of 1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is SDRYKURWLUBSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)6-7-13-15-10(3)12(8-14-5)11(4)16-13/h9,14H,6-8H2,1-5H3.
What are the key properties of 1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62745995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).