2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine

C15H26N4O2 — CID 82458758

IUPAC2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(C(C)(C)C)nc(NCC2CCCO2)c1N
InChIInChI=1S/C15H26N4O2/c1-5-20-13-11(16)12(17-9-10-7-6-8-21-10)18-14(19-13)15(2,3)4/h10H,5-9,16H2,1-4H3,(H,17,18,19)
InChIKeyLHBMPXQGMHNALR-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.35
Rot. Bonds5

About 2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine

2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 82458758) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
PubChem CID82458758
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(C(C)(C)C)nc(NCC2CCCO2)c1N
InChIInChI=1S/C15H26N4O2/c1-5-20-13-11(16)12(17-9-10-7-6-8-21-10)18-14(19-13)15(2,3)4/h10H,5-9,16H2,1-4H3,(H,17,18,19)
InChIKeyLHBMPXQGMHNALR-UHFFFAOYSA-N
XLogP2.35
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine
CID 82456275
2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80982416
6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82457877
2-cyclopropyl-6-(2-methoxyethoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456345
6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456917
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
2-tert-butyl-6-N,5-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80983616
6-chloro-2-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459193
2-tert-butyl-6-(2-methoxyethoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456935
6-(3,5-dimethylphenoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22540649
2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine
CID 7147197
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine (CID 82458758) is 2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine is CCOc1nc(C(C)(C)C)nc(NCC2CCCO2)c1N.
What is the InChIKey of 2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is LHBMPXQGMHNALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-20-13-11(16)12(17-9-10-7-6-8-21-10)18-14(19-13)15(2,3)4/h10H,5-9,16H2,1-4H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 294.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).