4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C14H16N6 — CID 136522634

IUPAC4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1c[nH]c(C2CCN(c3ncnc4[nH]ccc34)CC2)n1
InChIInChI=1S/C14H16N6/c1-4-15-13-11(1)14(19-9-18-13)20-7-2-10(3-8-20)12-16-5-6-17-12/h1,4-6,9-10H,2-3,7-8H2,(H,16,17)(H,15,18,19)
InChIKeyWHUSGZJMZKURPN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.07
Rot. Bonds2

About 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 136522634) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID136522634
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1c[nH]c(C2CCN(c3ncnc4[nH]ccc34)CC2)n1
InChIInChI=1S/C14H16N6/c1-4-15-13-11(1)14(19-9-18-13)20-7-2-10(3-8-20)12-16-5-6-17-12/h1,4-6,9-10H,2-3,7-8H2,(H,16,17)(H,15,18,19)
InChIKeyWHUSGZJMZKURPN-UHFFFAOYSA-N
XLogP2.07
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 136522634) is 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is c1c[nH]c(C2CCN(c3ncnc4[nH]ccc34)CC2)n1.
What is the InChIKey of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is WHUSGZJMZKURPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-4-15-13-11(1)14(19-9-18-13)20-7-2-10(3-8-20)12-16-5-6-17-12/h1,4-6,9-10H,2-3,7-8H2,(H,16,17)(H,15,18,19).
What are the key properties of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 268.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 136522634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).