1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine

C7H13N3 — CID 141054233

IUPAC1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine
SMILESNC1NCCC2CC=CN21
InChIInChI=1S/C7H13N3/c8-7-9-4-3-6-2-1-5-10(6)7/h1,5-7,9H,2-4,8H2
InChIKeyHAKZPEBDNJDFSH-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.19
Rot. Bonds

About 1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine

1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine (PubChem CID 141054233) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine
PubChem CID141054233
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine
SMILESNC1NCCC2CC=CN21
InChIInChI=1S/C7H13N3/c8-7-9-4-3-6-2-1-5-10(6)7/h1,5-7,9H,2-4,8H2
InChIKeyHAKZPEBDNJDFSH-UHFFFAOYSA-N
XLogP-0.19
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,8-Diazabicyclo[5.4.0]undec-2-ene
CID 9812821
1,2,3,7,8,8a-Hexahydroimidazo[1,5-a]pyridine
CID 19597735
2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepin-10a-amine
CID 56628724
1,2,3,4,4a,5-Hexahydropyrrolo[1,2-c]pyrimidine
CID 69798378
1,2,3,4,8,8a-Hexahydropyrrolo[1,2-a]pyrimidine
CID 70215085
2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-c]pyrimidine
CID 70438905
2,3,5,6,7,8-Hexahydroimidazo[1,5-a]pyridine
CID 118369194
2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine
CID 118524277
1,2,4a,5,6,7-Hexahydropyrrolo[1,2-c]pyrimidine
CID 139939837
3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
CID 141054236
1,2,3,4,5,9,10,11,12,12a-Decahydropyrido[1,2-a][1,3]diazonine
CID 152490241
10a-deuterio-2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepine
CID 175841469

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine?
The IUPAC name of 1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine (CID 141054233) is 1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine?
The canonical SMILES for 1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine is NC1NCCC2CC=CN21.
What is the InChIKey of 1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine?
The InChIKey is HAKZPEBDNJDFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c8-7-9-4-3-6-2-1-5-10(6)7/h1,5-7,9H,2-4,8H2.
What are the key properties of 1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine?
1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine has a molecular weight of 139.20 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydropyrrolo[1,2-c]pyrimidin-1-amine is sourced from PubChem (CID 141054233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).