N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine

C12H21N3 — CID 126848581

IUPACN-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)Cc1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C12H21N3/c1-9(2)6-10-7-11(14-8-13-10)15-12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyZCVLQYNSFNOWLP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.89
Rot. Bonds3

About N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine

N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 126848581) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID126848581
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)Cc1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C12H21N3/c1-9(2)6-10-7-11(14-8-13-10)15-12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyZCVLQYNSFNOWLP-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 126848576
N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82453563
N-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80920027
N-tert-butyl-6-fluoropyrimidin-4-amine
CID 115416300
6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340453
N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine
CID 126849068
N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine
CID 138031308
4-methoxy-6-(2-methylpropyl)pyrimidine
CID 146431371
N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
CID 115685847
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 146233506
1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 107159268

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine (CID 126848581) is N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine is CC(C)Cc1cc(NC(C)(C)C)ncn1.
What is the InChIKey of N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is ZCVLQYNSFNOWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)6-10-7-11(14-8-13-10)15-12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15).
What are the key properties of N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine?
N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 126848581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).