N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine

C12H21N3 — CID 115774227

IUPACN-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-8-7-9(2)14-11(13-8)15-10(3)12(4,5)6/h7,10H,1-6H3,(H,13,14,15)
InChIKeyVGUKWJUXOGLPDR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.94
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine

N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 115774227) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
PubChem CID115774227
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-8-7-9(2)14-11(13-8)15-10(3)12(4,5)6/h7,10H,1-6H3,(H,13,14,15)
InChIKeyVGUKWJUXOGLPDR-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 43518888
2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine
CID 63732356
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine
CID 78966867
2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine
CID 65192439
4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 104828350
4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115644029
4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
CID 130009210
N-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 155453170
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine (CID 115774227) is N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NC(C)C(C)(C)C)n1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is VGUKWJUXOGLPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8-7-9(2)14-11(13-8)15-10(3)12(4,5)6/h7,10H,1-6H3,(H,13,14,15).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 115774227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).