1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride

C15H26ClN5O — CID 67775167

IUPAC1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride
SMILESCCCNc1nc2c(c(N3CCC(O)CC3)n1)CCN2C.Cl
InChIInChI=1S/C15H25N5O.ClH/c1-3-7-16-15-17-13-12(6-8-19(13)2)14(18-15)20-9-4-11(21)5-10-20;/h11,21H,3-10H2,1-2H3,(H,16,17,18);1H
InChIKeyHFHAWVXKBIACRV-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.67
Rot. Bonds4

About 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride

1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride (PubChem CID 67775167) has the molecular formula C15H26ClN5O and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride
PubChem CID67775167
Molecular FormulaC15H26ClN5O
Molecular Weight327.86 g/mol
Exact Mass327.18
IUPAC Name1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride
SMILESCCCNc1nc2c(c(N3CCC(O)CC3)n1)CCN2C.Cl
InChIInChI=1S/C15H25N5O.ClH/c1-3-7-16-15-17-13-12(6-8-19(13)2)14(18-15)20-9-4-11(21)5-10-20;/h11,21H,3-10H2,1-2H3,(H,16,17,18);1H
InChIKeyHFHAWVXKBIACRV-UHFFFAOYSA-N
XLogP1.67
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride?
The IUPAC name of 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride (CID 67775167) is 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride is CCCNc1nc2c(c(N3CCC(O)CC3)n1)CCN2C.Cl.
What is the InChIKey of 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride?
The InChIKey is HFHAWVXKBIACRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O.ClH/c1-3-7-16-15-17-13-12(6-8-19(13)2)14(18-15)20-9-4-11(21)5-10-20;/h11,21H,3-10H2,1-2H3,(H,16,17,18);1H.
What are the key properties of 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride?
1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 67775167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).