5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

C16H24ClN5 — CID 146343863

IUPAC5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.c1nc(NC2CCCNC2)c2c(CC3CCC3)c[nH]c2n1
InChIInChI=1S/C16H23N5.ClH/c1-3-11(4-1)7-12-8-18-15-14(12)16(20-10-19-15)21-13-5-2-6-17-9-13;/h8,10-11,13,17H,1-7,9H2,(H2,18,19,20,21);1H
InChIKeyHNJVMKGCWLHIDA-UHFFFAOYSA-N
MW321.86 g/mol
LogP2.89
Rot. Bonds4

About 5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 146343863) has the molecular formula C16H24ClN5 and a molecular weight of 321.86 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID146343863
Molecular FormulaC16H24ClN5
Molecular Weight321.86 g/mol
Exact Mass321.17
IUPAC Name5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.c1nc(NC2CCCNC2)c2c(CC3CCC3)c[nH]c2n1
InChIInChI=1S/C16H23N5.ClH/c1-3-11(4-1)7-12-8-18-15-14(12)16(20-10-19-15)21-13-5-2-6-17-9-13;/h8,10-11,13,17H,1-7,9H2,(H2,18,19,20,21);1H
InChIKeyHNJVMKGCWLHIDA-UHFFFAOYSA-N
XLogP2.89
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 146343863) is 5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is Cl.c1nc(NC2CCCNC2)c2c(CC3CCC3)c[nH]c2n1.
What is the InChIKey of 5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is HNJVMKGCWLHIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5.ClH/c1-3-11(4-1)7-12-8-18-15-14(12)16(20-10-19-15)21-13-5-2-6-17-9-13;/h8,10-11,13,17H,1-7,9H2,(H2,18,19,20,21);1H.
What are the key properties of 5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 321.86 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 146343863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).