2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine

C15H25N3O — CID 133418004

IUPAC2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine
SMILESCCC(Nc1ccnc(C(C)(C)C)n1)C1CCCO1
InChIInChI=1S/C15H25N3O/c1-5-11(12-7-6-10-19-12)17-13-8-9-16-14(18-13)15(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,16,17,18)
InChIKeyRJZAKKODCRGSNV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.14
Rot. Bonds4

About 2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine

2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine (PubChem CID 133418004) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine
PubChem CID133418004
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine
SMILESCCC(Nc1ccnc(C(C)(C)C)n1)C1CCCO1
InChIInChI=1S/C15H25N3O/c1-5-11(12-7-6-10-19-12)17-13-8-9-16-14(18-13)15(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,16,17,18)
InChIKeyRJZAKKODCRGSNV-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine (CID 133418004) is 2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine is CCC(Nc1ccnc(C(C)(C)C)n1)C1CCCO1.
What is the InChIKey of 2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine?
The InChIKey is RJZAKKODCRGSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-11(12-7-6-10-19-12)17-13-8-9-16-14(18-13)15(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine?
2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(oxolan-2-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 133418004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).