2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine

C16H30N4O — CID 82941053

IUPAC2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
SMILESCCCOCCCNc1nc(C(C)(C)C)nc(NC)c1C
InChIInChI=1S/C16H30N4O/c1-7-10-21-11-8-9-18-14-12(2)13(17-6)19-15(20-14)16(3,4)5/h7-11H2,1-6H3,(H2,17,18,19,20)
InChIKeyNYEDFKXRBAZDAK-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.35
Rot. Bonds8

About 2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine

2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine (PubChem CID 82941053) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
PubChem CID82941053
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
SMILESCCCOCCCNc1nc(C(C)(C)C)nc(NC)c1C
InChIInChI=1S/C16H30N4O/c1-7-10-21-11-8-9-18-14-12(2)13(17-6)19-15(20-14)16(3,4)5/h7-11H2,1-6H3,(H2,17,18,19,20)
InChIKeyNYEDFKXRBAZDAK-UHFFFAOYSA-N
XLogP3.35
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine (CID 82941053) is 2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine is CCCOCCCNc1nc(C(C)(C)C)nc(NC)c1C.
What is the InChIKey of 2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine?
The InChIKey is NYEDFKXRBAZDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-10-21-11-8-9-18-14-12(2)13(17-6)19-15(20-14)16(3,4)5/h7-11H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine?
2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 82941053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).