1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol

C16H25N5O — CID 123651063

IUPAC1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol
SMILESCCCCCC1CN(Cc2c[nH]c3c(N)ncnc23)CC1O
InChIInChI=1S/C16H25N5O/c1-2-3-4-5-11-7-21(9-13(11)22)8-12-6-18-15-14(12)19-10-20-16(15)17/h6,10-11,13,18,22H,2-5,7-9H2,1H3,(H2,17,19,20)
InChIKeyGKCIAZVEWOJKEV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.91
Rot. Bonds6

About 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol

1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol (PubChem CID 123651063) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol
PubChem CID123651063
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol
SMILESCCCCCC1CN(Cc2c[nH]c3c(N)ncnc23)CC1O
InChIInChI=1S/C16H25N5O/c1-2-3-4-5-11-7-21(9-13(11)22)8-12-6-18-15-14(12)19-10-20-16(15)17/h6,10-11,13,18,22H,2-5,7-9H2,1H3,(H2,17,19,20)
InChIKeyGKCIAZVEWOJKEV-UHFFFAOYSA-N
XLogP1.91
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(pentylsulfanylmethyl)pyrrolidin-3-ol
CID 147240131
(3S,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(butylsulfanylmethyl)pyrrolidin-3-ol
CID 73213610
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(butylsulfanylmethyl)pyrrolidin-3-ol
CID 72829752
(3S,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-methoxyethylsulfanylmethyl)pyrrolidin-3-ol
CID 73213975
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2H-triazol-4-ylmethyl)pyrrolidin-3-ol
CID 123905548
(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol
CID 10067695
7-[[(3S,4R)-3-(5-aminopentyl)-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136600937
7-[[3-(methylsulfanylmethyl)azetidin-1-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 24799125
N-[7-[[3-hydroxy-4-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]hexanamide
CID 178134587
(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]pyrrolidin-3-ol
CID 71811264
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(1-benzyltriazol-4-yl)pyrrolidin-3-ol
CID 75244671
7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane
CID 144902716

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol?
The IUPAC name of 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol (CID 123651063) is 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol?
The canonical SMILES for 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol is CCCCCC1CN(Cc2c[nH]c3c(N)ncnc23)CC1O.
What is the InChIKey of 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol?
The InChIKey is GKCIAZVEWOJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-2-3-4-5-11-7-21(9-13(11)22)8-12-6-18-15-14(12)19-10-20-16(15)17/h6,10-11,13,18,22H,2-5,7-9H2,1H3,(H2,17,19,20).
What are the key properties of 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol?
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol has a molecular weight of 303.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol is sourced from PubChem (CID 123651063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).