4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine

C14H24N4O — CID 83040002

IUPAC4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H24N4O/c1-9(2)13-17-11(15)7-12(18-13)16-10-5-6-19-14(3,4)8-10/h7,9-10H,5-6,8H2,1-4H3,(H3,15,16,17,18)
InChIKeyLZQQTLZELMKFJN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.55
Rot. Bonds3

About 4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 83040002) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID83040002
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H24N4O/c1-9(2)13-17-11(15)7-12(18-13)16-10-5-6-19-14(3,4)8-10/h7,9-10H,5-6,8H2,1-4H3,(H3,15,16,17,18)
InChIKeyLZQQTLZELMKFJN-UHFFFAOYSA-N
XLogP2.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 83040002) is 4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1nc(N)cc(NC2CCOC(C)(C)C2)n1.
What is the InChIKey of 4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is LZQQTLZELMKFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)13-17-11(15)7-12(18-13)16-10-5-6-19-14(3,4)8-10/h7,9-10H,5-6,8H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 83040002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).