6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine

C15H25N3O — CID 103987795

IUPAC6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(CC2CCOC2)n1
InChIInChI=1S/C15H25N3O/c1-5-16-13-9-12(15(2,3)4)17-14(18-13)8-11-6-7-19-10-11/h9,11H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyDHSXKSBTNJGOCM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds4

About 6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine

6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 103987795) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID103987795
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(CC2CCOC2)n1
InChIInChI=1S/C15H25N3O/c1-5-16-13-9-12(15(2,3)4)17-14(18-13)8-11-6-7-19-10-11/h9,11H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyDHSXKSBTNJGOCM-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
CID 80941165
[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 103987906
N-ethyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950581
6-tert-butyl-N-ethyl-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65328095
N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 103987843
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955245
6-chloro-N-(oxolan-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193
6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80936100
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 63487149
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
5-bromo-6-tert-butyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987845

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine (CID 103987795) is 6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine is CCNc1cc(C(C)(C)C)nc(CC2CCOC2)n1.
What is the InChIKey of 6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is DHSXKSBTNJGOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-16-13-9-12(15(2,3)4)17-14(18-13)8-11-6-7-19-10-11/h9,11H,5-8,10H2,1-4H3,(H,16,17,18).
What are the key properties of 6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 103987795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).