1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol

C12H20N4O — CID 112747946

IUPAC1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1c1ccc(N)c(N)n1
InChIInChI=1S/C12H20N4O/c1-8(17)7-9-3-2-6-16(9)11-5-4-10(13)12(14)15-11/h4-5,8-9,17H,2-3,6-7,13H2,1H3,(H2,14,15)
InChIKeyLZXFURZEEFTEFQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.99
Rot. Bonds3

About 1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol

1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 112747946) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID112747946
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1c1ccc(N)c(N)n1
InChIInChI=1S/C12H20N4O/c1-8(17)7-9-3-2-6-16(9)11-5-4-10(13)12(14)15-11/h4-5,8-9,17H,2-3,6-7,13H2,1H3,(H2,14,15)
InChIKeyLZXFURZEEFTEFQ-UHFFFAOYSA-N
XLogP0.99
TPSA88.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-pyrimidin-4-ylazepan-2-yl)propan-2-ol
CID 112748409
1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol
CID 112748849
(2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 124842088
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol
CID 112747815
2-propan-2-yloxy-6-(2-propylpiperidin-1-yl)pyridin-3-amine
CID 83052124
1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115883125
[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 22598847
(2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 124850219
[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol
CID 116633953
1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine
CID 112748048
2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine
CID 141444822
(2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 99705046

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol (CID 112747946) is 1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1c1ccc(N)c(N)n1.
What is the InChIKey of 1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is LZXFURZEEFTEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(17)7-9-3-2-6-16(9)11-5-4-10(13)12(14)15-11/h4-5,8-9,17H,2-3,6-7,13H2,1H3,(H2,14,15).
What are the key properties of 1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 236.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 112747946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).