6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine

C15H26N4O2 — CID 104767328

IUPAC6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCC2(OC)CCOC2)n1
InChIInChI=1S/C15H26N4O2/c1-4-6-12-18-13(16-5-2)9-14(19-12)17-10-15(20-3)7-8-21-11-15/h9H,4-8,10-11H2,1-3H3,(H2,16,17,18,19)
InChIKeySPUZRCZMFARZKE-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.08
Rot. Bonds8

About 6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 104767328) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID104767328
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCC2(OC)CCOC2)n1
InChIInChI=1S/C15H26N4O2/c1-4-6-12-18-13(16-5-2)9-14(19-12)17-10-15(20-3)7-8-21-11-15/h9H,4-8,10-11H2,1-3H3,(H2,16,17,18,19)
InChIKeySPUZRCZMFARZKE-UHFFFAOYSA-N
XLogP2.08
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 104767328) is 6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(NCC2(OC)CCOC2)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is SPUZRCZMFARZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-6-12-18-13(16-5-2)9-14(19-12)17-10-15(20-3)7-8-21-11-15/h9H,4-8,10-11H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 294.40 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 104767328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).