N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine

C12H21N3O2 — CID 107390199

IUPACN-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCOC(CNc1nc(C)cc(C(C)C)n1)OC
InChIInChI=1S/C12H21N3O2/c1-8(2)10-6-9(3)14-12(15-10)13-7-11(16-4)17-5/h6,8,11H,7H2,1-5H3,(H,13,14,15)
InChIKeyYWWVQADSQYFWFQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.94
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine

N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine (PubChem CID 107390199) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
PubChem CID107390199
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCOC(CNc1nc(C)cc(C(C)C)n1)OC
InChIInChI=1S/C12H21N3O2/c1-8(2)10-6-9(3)14-12(15-10)13-7-11(16-4)17-5/h6,8,11H,7H2,1-5H3,(H,13,14,15)
InChIKeyYWWVQADSQYFWFQ-UHFFFAOYSA-N
XLogP1.94
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491491
N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 113491499
4,4-dimethyl-2-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]pentanoic acid
CID 107475049
1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine
CID 78966867
4,6-dimethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 62694170
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108618
N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 113491544
2,2-dimethyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pentane-1,5-diamine
CID 106142913
4,6-dimethyl-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115774265
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 61362808
N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491509

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine (CID 107390199) is N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine is COC(CNc1nc(C)cc(C(C)C)n1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is YWWVQADSQYFWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)10-6-9(3)14-12(15-10)13-7-11(16-4)17-5/h6,8,11H,7H2,1-5H3,(H,13,14,15).
What are the key properties of N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine?
N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 107390199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).