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

C15H25N5O — CID 57378242

IUPAC1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1nc2c(c(N3CCC(O)CC3)n1)CCN2C
InChIInChI=1S/C15H25N5O/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)
InChIKeyGWLMBBGIDXHXSY-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.25
Rot. Bonds4

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

1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 57378242) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
PubChem CID57378242
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1nc2c(c(N3CCC(O)CC3)n1)CCN2C
InChIInChI=1S/C15H25N5O/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)
InChIKeyGWLMBBGIDXHXSY-UHFFFAOYSA-N
XLogP1.25
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.25
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?
The IUPAC name of 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol (CID 57378242) is 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol is CCCNc1nc2c(c(N3CCC(O)CC3)n1)CCN2C.
What is the InChIKey of 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is GWLMBBGIDXHXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/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).
What are the key properties of 1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
1-[7-methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 291.40 g/mol, XLogP of 1.25, 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 is sourced from PubChem (CID 57378242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).