7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine

C6H8N4 — CID 135271443

IUPAC7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNC1=NC=NC2NC=CC12
InChIInChI=1S/C6H8N4/c7-5-4-1-2-8-6(4)10-3-9-5/h1-4,6,8H,(H2,7,9,10)
InChIKeyKNYUUGHVKMAGEW-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.56
Rot. Bonds

About 7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine

7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 135271443) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID135271443
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNC1=NC=NC2NC=CC12
InChIInChI=1S/C6H8N4/c7-5-4-1-2-8-6(4)10-3-9-5/h1-4,6,8H,(H2,7,9,10)
InChIKeyKNYUUGHVKMAGEW-UHFFFAOYSA-N
XLogP-0.56
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166698168
4-chloro-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine
CID 69020836
3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70327680
N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine
CID 137304712
7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine
CID 141660761
Ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 142405735
7-Methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 142405736
2-propan-2-yl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine
CID 155382100
N-(5-iodo-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-yl)methanimine
CID 163817545
(8Z)-7-methyl-1,2,5,7-tetrahydro-1,3,5-triazonin-6-imine
CID 176540861
4,4a-dihydro-1H-pyrrolo[2,3-d]pyrimidine
CID 176545565
4-chloro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine
CID 179070290

Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine (CID 135271443) is 7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine is NC1=NC=NC2NC=CC12.
What is the InChIKey of 7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KNYUUGHVKMAGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-5-4-1-2-8-6(4)10-3-9-5/h1-4,6,8H,(H2,7,9,10).
What are the key properties of 7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine?
7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 136.16 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135271443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).