N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine

C13H23N3O — CID 113434162

IUPACN-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine
SMILESCOCCC(C)(C)CNc1cc(C)nc(C)n1
InChIInChI=1S/C13H23N3O/c1-10-8-12(16-11(2)15-10)14-9-13(3,4)6-7-17-5/h8H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyQSYYCAZAIHCVLQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.57
Rot. Bonds6

About N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine

N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 113434162) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID113434162
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine
SMILESCOCCC(C)(C)CNc1cc(C)nc(C)n1
InChIInChI=1S/C13H23N3O/c1-10-8-12(16-11(2)15-10)14-9-13(3,4)6-7-17-5/h8H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyQSYYCAZAIHCVLQ-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 83619844
1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine
CID 115306257
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257562
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427722
6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid
CID 114125748
N-[2-(chloromethyl)-2-ethylbutyl]-2,6-dimethylpyrimidin-4-amine
CID 106252969
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
8-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-methylquinolin-4-amine
CID 133459634
N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 65027153
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine (CID 113434162) is N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine is COCCC(C)(C)CNc1cc(C)nc(C)n1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is QSYYCAZAIHCVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-8-12(16-11(2)15-10)14-9-13(3,4)6-7-17-5/h8H,6-7,9H2,1-5H3,(H,14,15,16).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine?
N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 113434162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).