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

C14H23N5O — CID 80941593

IUPAC4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCC2CN3CCCC3CO2)n1
InChIInChI=1S/C14H23N5O/c1-2-13-17-12(15)6-14(18-13)16-7-11-8-19-5-3-4-10(19)9-20-11/h6,10-11H,2-5,7-9H2,1H3,(H3,15,16,17,18)
InChIKeyTYDREHPARRJDHW-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.90
Rot. Bonds4

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

4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-ethylpyrimidine-4,6-diamine (PubChem CID 80941593) has the molecular formula C14H23N5O and a molecular weight of 277.37 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-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-ethylpyrimidine-4,6-diamine
PubChem CID80941593
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCC2CN3CCCC3CO2)n1
InChIInChI=1S/C14H23N5O/c1-2-13-17-12(15)6-14(18-13)16-7-11-8-19-5-3-4-10(19)9-20-11/h6,10-11H,2-5,7-9H2,1H3,(H3,15,16,17,18)
InChIKeyTYDREHPARRJDHW-UHFFFAOYSA-N
XLogP0.90
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.90
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-ethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

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
2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine
CID 79176823
6-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 80851211
2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine
CID 79079795
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 80946821
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833651
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4,6-dimethylpyrimidin-2-amine
CID 79071229
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 115355198
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 78956169
3-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)benzene-1,3-diamine
CID 79081974
1-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2,6-dichlorobenzene-1,4-diamine
CID 106890562

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-ethylpyrimidine-4,6-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-ethylpyrimidine-4,6-diamine (CID 80941593) is 4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-ethylpyrimidine-4,6-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-ethylpyrimidine-4,6-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-ethylpyrimidine-4,6-diamine is CCc1nc(N)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-ethylpyrimidine-4,6-diamine?
The InChIKey is TYDREHPARRJDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-2-13-17-12(15)6-14(18-13)16-7-11-8-19-5-3-4-10(19)9-20-11/h6,10-11H,2-5,7-9H2,1H3,(H3,15,16,17,18).
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-ethylpyrimidine-4,6-diamine?
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-ethylpyrimidine-4,6-diamine has a molecular weight of 277.37 g/mol, XLogP of 0.90, 4 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-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80941593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).