6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine

C12H21N3 — CID 102609023

IUPAC6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
SMILESCc1cc(NCC(C)(C)C(C)C)ncn1
InChIInChI=1S/C12H21N3/c1-9(2)12(4,5)7-13-11-6-10(3)14-8-15-11/h6,8-9H,7H2,1-5H3,(H,13,14,15)
InChIKeyREALENZMQBRCFJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.88
Rot. Bonds4

About 6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine

6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine (PubChem CID 102609023) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
PubChem CID102609023
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
SMILESCc1cc(NCC(C)(C)C(C)C)ncn1
InChIInChI=1S/C12H21N3/c1-9(2)12(4,5)7-13-11-6-10(3)14-8-15-11/h6,8-9H,7H2,1-5H3,(H,13,14,15)
InChIKeyREALENZMQBRCFJ-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 115658439
1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol
CID 61226295
N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine
CID 133311807
N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 65037496
6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225495
N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
6-methyl-N-(2-methylidenebutyl)pyrimidin-4-amine
CID 131071652
6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 61225499
N-(3-bromopropyl)-6-methylpyrimidin-4-amine
CID 126848040
N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine
CID 126987889
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 61225693
N-but-3-en-2-yl-6-methylpyrimidin-4-amine
CID 115691966

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine (CID 102609023) is 6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine is Cc1cc(NCC(C)(C)C(C)C)ncn1.
What is the InChIKey of 6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine?
The InChIKey is REALENZMQBRCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)12(4,5)7-13-11-6-10(3)14-8-15-11/h6,8-9H,7H2,1-5H3,(H,13,14,15).
What are the key properties of 6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine?
6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 102609023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).