4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine

C15H25N5O — CID 80833834

IUPAC4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCC2CN3CCCC3CO2)n1
InChIInChI=1S/C15H25N5O/c1-3-16-15-18-11(2)7-14(19-15)17-8-13-9-20-6-4-5-12(20)10-21-13/h7,12-13H,3-6,8-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyRMXFJKUNZIVQLQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.49
Rot. Bonds5

About 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine

4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 80833834) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
PubChem CID80833834
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCC2CN3CCCC3CO2)n1
InChIInChI=1S/C15H25N5O/c1-3-16-15-18-11(2)7-14(19-15)17-8-13-9-20-6-4-5-12(20)10-21-13/h7,12-13H,3-6,8-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyRMXFJKUNZIVQLQ-UHFFFAOYSA-N
XLogP1.49
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine (CID 80833834) is 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine is CCNc1nc(C)cc(NCC2CN3CCCC3CO2)n1.
What is the InChIKey of 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is RMXFJKUNZIVQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-16-15-18-11(2)7-14(19-15)17-8-13-9-20-6-4-5-12(20)10-21-13/h7,12-13H,3-6,8-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 291.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80833834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).