5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine

C17H30N4 — CID 83178532

IUPAC5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1nc(N(CC(C)C)C2CC2)ncc1CNC(C)(C)C
InChIInChI=1S/C17H30N4/c1-12(2)11-21(15-7-8-15)16-18-9-14(13(3)20-16)10-19-17(4,5)6/h9,12,15,19H,7-8,10-11H2,1-6H3
InChIKeyHJTDJCKGBSPHIR-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.30
Rot. Bonds6

About 5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine

5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 83178532) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID83178532
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1nc(N(CC(C)C)C2CC2)ncc1CNC(C)(C)C
InChIInChI=1S/C17H30N4/c1-12(2)11-21(15-7-8-15)16-18-9-14(13(3)20-16)10-19-17(4,5)6/h9,12,15,19H,7-8,10-11H2,1-6H3
InChIKeyHJTDJCKGBSPHIR-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine (CID 83178532) is 5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine is Cc1nc(N(CC(C)C)C2CC2)ncc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is HJTDJCKGBSPHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-12(2)11-21(15-7-8-15)16-18-9-14(13(3)20-16)10-19-17(4,5)6/h9,12,15,19H,7-8,10-11H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 290.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 83178532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).