2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone

C19H31N7O — CID 91763014

IUPAC2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESNc1nc(C2CC(N)C2)cc(N2CCN(CC(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C19H31N7O/c20-15-10-14(11-15)16-12-17(23-19(21)22-16)25-8-6-24(7-9-25)13-18(27)26-4-2-1-3-5-26/h12,14-15H,1-11,13,20H2,(H2,21,22,23)
InChIKeyYAWOHYPCISXEJK-UHFFFAOYSA-N
MW373.51 g/mol
LogP0.40
Rot. Bonds4

About 2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 91763014) has the molecular formula C19H31N7O and a molecular weight of 373.51 g/mol. Its IUPAC name is 2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID91763014
Molecular FormulaC19H31N7O
Molecular Weight373.51 g/mol
Exact Mass373.26
IUPAC Name2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESNc1nc(C2CC(N)C2)cc(N2CCN(CC(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C19H31N7O/c20-15-10-14(11-15)16-12-17(23-19(21)22-16)25-8-6-24(7-9-25)13-18(27)26-4-2-1-3-5-26/h12,14-15H,1-11,13,20H2,(H2,21,22,23)
InChIKeyYAWOHYPCISXEJK-UHFFFAOYSA-N
XLogP0.40
TPSA104.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone (CID 91763014) is 2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone is Nc1nc(C2CC(N)C2)cc(N2CCN(CC(=O)N3CCCCC3)CC2)n1.
What is the InChIKey of 2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is YAWOHYPCISXEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O/c20-15-10-14(11-15)16-12-17(23-19(21)22-16)25-8-6-24(7-9-25)13-18(27)26-4-2-1-3-5-26/h12,14-15H,1-11,13,20H2,(H2,21,22,23).
What are the key properties of 2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 373.51 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 91763014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).