4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

C14H26N4O — CID 104767223

IUPAC4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCC(C)(C)OC)c1C
InChIInChI=1S/C14H26N4O/c1-9(2)11-17-12(15-6)10(3)13(18-11)16-8-14(4,5)19-7/h9H,8H2,1-7H3,(H2,15,16,17,18)
InChIKeyDZXOAJYGNLBPFF-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.79
Rot. Bonds6

About 4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 104767223) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID104767223
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCC(C)(C)OC)c1C
InChIInChI=1S/C14H26N4O/c1-9(2)11-17-12(15-6)10(3)13(18-11)16-8-14(4,5)19-7/h9H,8H2,1-7H3,(H2,15,16,17,18)
InChIKeyDZXOAJYGNLBPFF-UHFFFAOYSA-N
XLogP2.79
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 104767223) is 4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(NCC(C)(C)OC)c1C.
What is the InChIKey of 4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is DZXOAJYGNLBPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-9(2)11-17-12(15-6)10(3)13(18-11)16-8-14(4,5)19-7/h9H,8H2,1-7H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 104767223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).