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

C15H25N5O — CID 80833651

IUPAC4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CN3CCCC3CO2)ncn1
InChIInChI=1S/C15H25N5O/c1-2-5-16-14-7-15(19-11-18-14)17-8-13-9-20-6-3-4-12(20)10-21-13/h7,11-13H,2-6,8-10H2,1H3,(H2,16,17,18,19)
InChIKeyYIQQYTJTKJZWEE-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.57
Rot. Bonds6

About 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

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 (PubChem CID 80833651) 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)-6-N-propylpyrimidine-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)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80833651
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)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CN3CCCC3CO2)ncn1
InChIInChI=1S/C15H25N5O/c1-2-5-16-14-7-15(19-11-18-14)17-8-13-9-20-6-3-4-12(20)10-21-13/h7,11-13H,2-6,8-10H2,1H3,(H2,16,17,18,19)
InChIKeyYIQQYTJTKJZWEE-UHFFFAOYSA-N
XLogP1.57
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.57
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)-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

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
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-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-propylpyrimidin-4-amine
CID 79089352
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
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
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
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)-5-bromopyrimidin-2-amine
CID 78953515
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
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
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-fluoropyridin-4-amine
CID 113367382

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)-6-N-propylpyrimidine-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)-6-N-propylpyrimidine-4,6-diamine (CID 80833651) is 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.
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)-6-N-propylpyrimidine-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)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC2CN3CCCC3CO2)ncn1.
What is the InChIKey of 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?
The InChIKey is YIQQYTJTKJZWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-5-16-14-7-15(19-11-18-14)17-8-13-9-20-6-3-4-12(20)10-21-13/h7,11-13H,2-6,8-10H2,1H3,(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)-6-N-propylpyrimidine-4,6-diamine?
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 has a molecular weight of 291.40 g/mol, XLogP of 1.57, 6 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)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80833651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).